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Valine

AlkaPlorer ID: AK000093

Synonym: None

IUPAC Name: (2S)-2-amino-3-methylbutanoic acid

Structure

SMILES: CC(C)[C@H](N)C(=O)O

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InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

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InChIKey: KZSNJWFQEVHDMF-BYPYZUCNSA-N

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Reference

PubChem CID: 88733505

CAS: 146548-59-6

LOTUS: LTS0231703

SuperNatural Ⅲ: SN0199728-01

NPASS: NPC126925

Source

Species Genus Family Order Class Phylum Kingdom Domain
Ginkgo biloba Ginkgo Ginkgoaceae Ginkgoales Ginkgoopsida Streptophyta Viridiplantae Eukaryota
Sinapis alba Sinapis Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Taraxacum platycarpum Taraxacum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Leptodontidium elatius Leptodontidium Leptodontidiaceae Helotiales Leotiomycetes Ascomycota Fungi Eukaryota
Calvatia gigantea Calvatia Lycoperdaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Brassica juncea Brassica Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pisum sativum Pisum Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Taraxacum coreanum Taraxacum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota
Tussilago farfara Tussilago Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aloe spicata Aloe Asphodelaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Angelica gigas Angelica Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Allium sativum Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Taraxacum officinale Taraxacum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Saccharomyces cerevisiae Saccharomyces Saccharomycetaceae Saccharomycetales Saccharomycetes Ascomycota Fungi Eukaryota
Calvatia fenzlii Calvatia Lycoperdaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Aniba canelilla Aniba Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Taraxacum mongolicum Taraxacum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Calvatia lilacina Calvatia Lycoperdaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Angelica sinensis Angelica Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Spinacia oleracea Spinacia Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mus musculus Mus Muridae Rodentia Mammalia Chordata Metazoa Eukaryota
Comptonia peregrina Comptonia Myricaceae Fagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Methylomonas methanica Methylomonas Methylococcaceae Methylococcales Gammaproteobacteria Pseudomonadota None Bacteria
Chlamydomonas reinhardtii Chlamydomonas Chlamydomonadaceae Chlamydomonadales Chlorophyceae Chlorophyta Viridiplantae Eukaryota
Aloe ferox Aloe Asphodelaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brassica oleracea Brassica Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Salvia hispanica Salvia Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Escherichia coli Escherichia Enterobacteriaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria
Angelica acutiloba Angelica Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pogostemon cablin Pogostemon Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aloe africana Aloe Asphodelaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 117.14799999999998

TPSA？: 63.32000000000001

MolLogP？: 0.0543

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus fumigatus Aspergillus fumigatus MIC 8400.0 nM 10.1021/jm301407k
Bacillus subtilis Bacillus subtilis MIC 6800.0 nM 10.1021/jm301407k
Bacteria Lipopolysaccharide (LPS) Activity nan None 10.1021/jm301407k
Bacteria Lipopolysaccharide (LPS) Inhibition 8.0 % 10.1021/jm301407k
Bacteria Lipopolysaccharide (LPS) Inhibition 22.0 % 10.1021/jm301407k
Bacteria Lipopolysaccharide (LPS) Inhibition 29.0 % 10.1021/jm301407k
Candida albicans Candida albicans MIC 9600.0 nM 10.1021/jm301407k
Candida parapsilosis Candida parapsilosis MIC 1500.0 nM 10.1021/jm301407k
Cryptococcus neoformans Cryptococcus neoformans MIC 8400.0 nM 10.1021/jm301407k
Escherichia coli Escherichia coli Activity nan None 10.1021/jm301407k
Escherichia coli Escherichia coli Drug uptake nan None 10.1021/jm301407k
Escherichia coli Escherichia coli MIC 3000.0 nM 10.1021/jm301407k
Homo sapiens Histone deacetylase Activity 100.0 % 10.1016/j.bmc.2009.05.042
Homo sapiens L-type amino acid transporter 1 Activity 100.0 % 10.1021/acs.jmedchem.8b01007
Homo sapiens L-type amino acid transporter 1 IC50 68000.0 nM 10.1021/acs.jmedchem.8b01007
Homo sapiens L-type amino acid transporter 1 Inhibition 43.0 % 10.1021/acs.jmedchem.8b01007
Homo sapiens Oligopeptide transporter small intestine isoform EC50 nan None 10.1021/jm0511029
Homo sapiens Oligopeptide transporter small intestine isoform IC50 nan None 10.1021/jm0511029
Homo sapiens Oligopeptide transporter small intestine isoform max activation nan None 10.1021/jm0511029
Homo sapiens Oligopeptide transporter small intestine isoform Ratio nan None 10.1021/jm0511029
Homo sapiens Pyruvate kinase isozymes M1/M2 Inhibition 65.0 % 10.1021/acs.jmedchem.1c00981
Klebsiella pneumoniae Klebsiella pneumoniae MIC 3200.0 nM 10.1021/jm301407k
Mus musculus NIH3T3 Activity nan None 10.1021/jm301407k
Mus musculus RAW264.7 Activity 50.0 % 10.1021/jm301407k
Mus musculus RAW264.7 Activity nan None 10.1021/jm301407k
Mus musculus RAW264.7 Inhibition nan % 10.1021/jm301407k
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 3200.0 nM 10.1021/jm301407k
Rattus norvegicus Amino acid transporter Inhibition 25.0 % None
Rattus norvegicus Monocarboxylate transporter 10 Activity nan None 10.1074/jbc.m009462200
Sporothrix schenckii Sporothrix schenckii MIC 6000.0 nM 10.1021/jm301407k
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/jm301407k
Staphylococcus aureus Staphylococcus aureus MIC 5100.0 nM 10.1021/jm301407k
Staphylococcus aureus Staphylococcus aureus MIC 12500.0 nM 10.1021/jm301407k
Staphylococcus epidermidis Staphylococcus epidermidis MIC 6000.0 nM 10.1021/jm301407k
Trichophyton mentagrophytes Trichophyton mentagrophytes MIC 6000.0 nM 10.1021/jm301407k
Vicia faba Vicia faba Activity 63.7 % 10.1016/s0304-4165(97)00041-x
Vicia faba Vicia faba Activity 77.4 % 10.1016/s0304-4165(97)00041-x
Vicia faba Vicia faba Activity 99.2 % 10.1016/s0304-4165(97)00041-x
None ADMET Activity 10.0 % 10.1021/jm301407k
None ADMET Activity nan None 10.1021/jm301407k
None ADMET Drug uptake nan None 10.1021/jm301407k
None Molecular identity unknown Activity nan None 10.1016/j.bmc.2012.02.028
None No relevant target Activity nan None 10.1021/jm301407k
None No relevant target LogP 208.0 None 10.1021/jm00393a031
None Unchecked EC50 1500000.0 nM 10.1016/s0960-894x(03)00280-4
None Unchecked krel 1.02 None 10.1016/s0960-894x(98)00164-4
None Unchecked Log 1/T 1.68 None 10.1021/jm00393a031

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000409 *C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C(=O)C(O)[C@@H](C)CC)[C@H](C)CC.CC(C)[C@H](N)C(=O)O.C[SAH]>>*C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C(=O)C(O)[C@@H](C)CC)[C@H](C)CC RXN-16643
AKRT000437 *C(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)c1cnc2ccccc2n1.*C(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)c1cnc2ccccc2n1.CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[SAH].C[SAH].C[SAH].C[SAH].N[C@@H](CS)C(=O)O.N[C@@H](CS)C(=O)O>>CC(C)[C@H]1C(=O)OC[C@@H](NC(=O)c2cnc3ccccc3n2)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CS)C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c2cnc3ccccc3n2)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CS)C(=O)N1C RXN-17157
AKRT000441 *C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C(=O)C(O)[C@@H](C)CC)[C@H](C)CC.CC(C)[C@H](N)C(=O)O.C[SAH]>>*C(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C(=O)C(O)[C@@H](C)CC)[C@H](C)CC)C(C)(C)O RXN-16645
AKRT000452 *C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1N)[C@@H](C)O)C(C)C.CC(C)[C@H](N)C(=O)O.C[SAH].NCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@@H]1CCCN1>>Cc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1O RXN-17073
AKRT000453 *C(=O)[C@H](O)C(C)CC.CC(C)[C@H](N)C(=O)O.C[SAH]>>*C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](O)C(C)CC RXN-16638
AKRT000469 *C(=O)c1ccc(C)c(O)c1N.CC(C)[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O>>*C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1N)[C@@H](C)O)C(C)C RXN-17076
AKRT000501 *C1OC(CO)C(OP(=O)(O)OCC2OC(*)C(O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O.CC(C)[C@H](N)C(=O)O>>*C1OC(CO)C(OP(=O)(O)OCC2OC(*)C(O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OC(=O)C(N)C(C)C)C2O)C1O MNXR195365
AKRT000670 *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(C)c(O)c1N)C(*)=O.CC(C)[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1N)[C@@H](C)O)C(C)C)C(*)=O MNXR187329
AKRT000837 *OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.CC(C)[C@H](N)C(=O)O>>*OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(=O)[C@@H](N)C(C)C)[C@@H]1O VALINE--TRNA-LIGASE-RXN
AKRT002012 CC(=O)C(=O)O.CC(C)[C@H](N)C(=O)O>>CC(C)C(=O)C(=O)O VALINE-PYRUVATE-AMINOTRANSFER-RXN
AKRT002013 CC(=O)C(=O)O.CC(C)[C@H](N)C(=O)O>>CC(C)C(=O)C(=O)O.C[C@H](N)C(=O)O None
AKRT002014 CC(=O)C(=O)O.CC(C)[C@H](N)C(=O)O>>CC(C)CC(=O)C(=O)O enzymemap_42060
AKRT002015 CC(=O)C(=O)O.CC(C)[C@H](N)C(=O)O>>CC(C)[C@H](NCCC(=O)O)C(=O)O enzymemap_22979
AKRT002016 CC(=O)C(=O)O.CC(C)[C@H](N)C(=O)O>>CC(N)C(=O)O MNXR180447
AKRT002017 CC(=O)C(=O)O.CC(C)[C@H](N)C(=O)O>>CC[C@H](C)[C@H](N)C(=O)O enzymemap_42060
AKRT002018 CC(=O)C(=O)O.CC(C)[C@H](N)C(=O)O>>C[C@H](N)C(=O)O VALINE-PYRUVATE-AMINOTRANSFER-RXN
AKRT003075 CC(=O)N[C@H](C(=O)O)C(C)C>>CC(=O)O.CC(C)[C@H](N)C(=O)O None
AKRT003076 CC(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_76506
AKRT003623 CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O.CC(C)[C@H](N)C(=O)O>>CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C enzymemap_91026
AKRT004058 CC(=O)O.CC(C)[C@H](N)C(=O)O>>CC(=O)N[C@H](C(=O)O)C(C)C MNXR133733
AKRT004498 CC(=O)[CoA].CC(C)[C@H](N)C(=O)O>>CC(=O)N[C@H](C(=O)O)C(C)C enzymemap_31623
AKRT004848 CC(C)(CN)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_86770
AKRT005342 CC(C)C(/N=C/C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O>>CC(C)[C@H](N)C(=O)O RXN-22789
AKRT005345 CC(C)C(=O)C(=O)O.CC(C)C[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O MNXR132981
AKRT005346 CC(C)C(=O)C(=O)O.CCC(N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_42054
AKRT005350 CC(C)C(=O)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O 2.6.1.32-RXN
AKRT005354 CC(C)C(=O)C(=O)O.CC[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_42089
AKRT005356 CC(C)C(=O)C(=O)O.C[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O R01215
AKRT005360 CC(C)C(=O)C(=O)O.NCC(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_42063
AKRT005361 CC(C)C(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>CC(C)[C@H](N)C(=O)O BRANCHED-CHAINAMINOTRANSFERVAL-RXN
AKRT005368 CC(C)C(=O)C(=O)O>>CC(C)[C@H](N)C(=O)O R01434
AKRT005395 CC(C)C(N)C#N>>CC(C)[C@H](N)C(=O)O enzymemap_79424
AKRT005399 CC(C)C(NC(N)=O)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_78007
AKRT005421 CC(C)CC(=O)C(=O)O.CC(C)[C@H](N)C(=O)O>>CC(C)C(=O)C(=O)O.CC(C)C[C@H](N)C(=O)O None
AKRT005437 CC(C)CC(=O)C(=O)O.NCC(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_42060
AKRT005549 CC(C)CC[C@H](C)[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_42170
AKRT005706 CC(C)C[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_64769
AKRT005714 CC(C)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_73914
AKRT005899 CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_64689
AKRT005919 CC(C)C[C@H](NC(=O)[C@@H](N)CCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_73914
AKRT005983 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_66226
AKRT006144 CC(C)[C@@H](C(=O)O)N1C(=O)CCC1=O>>CC(C)[C@H](N)C(=O)O MNXR134028
AKRT006158 CC(C)[C@@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O None
AKRT006189 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_66175
AKRT006190 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_66175
AKRT006195 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1>>CC(C)[C@H](N)C(=O)O enzymemap_66206
AKRT006197 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_66247
AKRT006198 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O>>CC(C)[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1 None
AKRT006200 CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_64985
AKRT006202 CC(C)[C@H](N)C(=O)NCC(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_64750
AKRT006204 CC(C)[C@H](N)C(=O)NCc1cccc(NC(=N)N)c1>>CC(C)[C@H](N)C(=O)O enzymemap_52948
AKRT006211 CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_65152
AKRT006216 CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_66512
AKRT006217 CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O>>CC(C)[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O None
AKRT006219 CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_65118
AKRT006221 CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)O>>CC(C)[C@H](N)C(=O)O enzymemap_65453
AKRT006224 CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_64876
AKRT006226 CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_65452
AKRT006227 CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>CC(C)[C@H](N)C(=O)O enzymemap_64486
AKRT006228 CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>CC(C)[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1 None
AKRT006229 CC(C)[C@H](N)C(=O)Nc1ccc2ccccc2c1>>CC(C)[C@H](N)C(=O)O enzymemap_64513
AKRT006230 CC(C)[C@H](N)C(=O)O.CC(C)CC(=O)C(=O)O>>CC(C)CC[C@H](C)[C@H](N)C(=O)O enzymemap_42170
AKRT006231 CC(C)[C@H](N)C(=O)O.CC(C)CC(=O)C(=O)O>>C[C@@H](CCC(=O)C(=O)O)[C@H](N)C(=O)O enzymemap_42170
AKRT006232 CC(C)[C@H](N)C(=O)O.CC(C)[C@H](C)C(=O)C(=O)O>>CC[C@H](C)[C@H](N)C(=O)O enzymemap_42134
AKRT006233 CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CC(C)[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=O)O)C(C)C MNXR163257
AKRT006234 CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](N)C(C)C)C(=O)O MNXR163259
AKRT006235 CC(C)[C@H](N)C(=O)O.CC/C=C\CC1C(=O)CCC1CC(=O)O>>CC/C=C\CC1C(=O)CCC1CC(=O)N[C@H](C(=O)O)C(C)C RXN-10457
AKRT006236 CC(C)[C@H](N)C(=O)O.CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O>>CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)C(C)C RXN-10436
AKRT006237 CC(C)[C@H](N)C(=O)O.CCC(=O)C(=O)O>>CC(C)C(=O)C(=O)O enzymemap_42054
AKRT006238 CC(C)[C@H](N)C(=O)O.CCC(=O)C(=O)O>>CC(C)C(=O)C(=O)O.CCC(N)C(=O)O None
AKRT006239 CC(C)[C@H](N)C(=O)O.CCC(C)C(=O)C(=O)O>>CC[C@@H](C)[C@H](N)C(=O)O enzymemap_42158
AKRT006240 CC(C)[C@H](N)C(=O)O.CCC(C)C(=O)C(=O)O>>CC[C@H](C)[C@H](N)C(=O)O enzymemap_42138
AKRT006241 CC(C)[C@H](N)C(=O)O.CCCC(=O)C(=O)O>>CC(C)CC(=O)C(=O)O enzymemap_42171
AKRT006242 CC(C)[C@H](N)C(=O)O.CCCC(=O)C(=O)O>>CC[C@H](C)[C@H](N)C(=O)O enzymemap_42171
AKRT006243 CC(C)[C@H](N)C(=O)O.CC[C@H](C)C(=O)C(=O)O>>CC(C)C(=O)C(=O)O 2.6.1.32-RXN
AKRT006244 CC(C)[C@H](N)C(=O)O.CC[C@H](C)C(=O)C(=O)O>>CC[C@H](C)[C@H](N)C(=O)O 2.6.1.32-RXN
AKRT006245 CC(C)[C@H](N)C(=O)O.CSCCC(=O)C(=O)O>>CC(C)C(=O)C(=O)O MNXR131406
AKRT006246 CC(C)[C@H](N)C(=O)O.CSCCC(=O)C(=O)O>>CSCC[C@H](N)C(=O)O MNXR131406
AKRT006247 CC(C)[C@H](N)C(=O)O.CSCC[C@@H](N)C(=O)O>>CSCC[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C enzymemap_90930
AKRT006248 CC(C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CN[C@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)C(C)C RXN-17004
AKRT006249 CC(C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CSCC[C@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=O)O)C(C)C MNXR163081
AKRT006250 CC(C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O>>CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O MNXR163155
AKRT006251 CC(C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O>>CSCC[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C enzymemap_90930
AKRT006252 CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)O enzymemap_90894
AKRT006253 CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)O MNXR133724
AKRT006254 CC(C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)NC(CC(O)CP(=O)(O)O)C(=O)O>>CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC(O)CP(=O)(O)O)C(=O)O RXN-15553
AKRT006255 CC(C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)N[C@@H](/C=C\CP(=O)(O)O)C(=O)O>>CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](/C=C\CP(=O)(O)O)C(=O)O RXN-15549
AKRT006256 CC(C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.NCC(=O)O>>CC(C)[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O MNXR163240
AKRT006257 CC(C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O>>CC(C)[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCNC(=N)N)C(=O)O MNXR163253
AKRT006258 CC(C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@H](CS)C(=O)O MNXR154748
AKRT006259 CC(C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O MNXR154750
AKRT006260 CC(C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O>>CC(C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O MNXR154746
AKRT006261 CC(C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O MNXR163249
AKRT006262 CC(C)[C@H](N)C(=O)O.NC(=O)/C=C/C(=O)NC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)/C=C/C(N)=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT006263 CC(C)[C@H](N)C(=O)O.NC(=O)/C=C/C(=O)NC[C@H](N)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)/C=C/C(N)=O)C(=O)O RXN-16291
AKRT006264 CC(C)[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT006265 CC(C)[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1>>CC(C)[C@H](NC(=O)C1CCCN1)C(=O)N[C@H](CCC(N)=O)C(=O)O MNXR162369
AKRT006266 CC(C)[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O enzymemap_90793
AKRT006267 CC(C)[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@H](CC(N)=O)C(=O)O MNXR154814
AKRT006268 CC(C)[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O>>CC(C)[C@@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(N)=O)C(=O)O MNXR163243
AKRT006269 CC(C)[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT006270 CC(C)[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O enzymemap_90780
AKRT006271 CC(C)[C@H](N)C(=O)O.NC(=O)[C@@H]1O[C@H]1C(=O)NC[C@H](N)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)[C@@H]1O[C@H]1C(N)=O)C(=O)O RXN-16991
AKRT006272 CC(C)[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CC(C)[C@@H](NC(=O)CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)O MNXR163067
AKRT006273 CC(C)[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O>>CC(C)[C@H](NC(=O)CN)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)O MNXR157890
AKRT006274 CC(C)[C@H](N)C(=O)O.NCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](NC(=O)CCN)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT006275 CC(C)[C@H](N)C(=O)O.NCCC(=O)O>>CC(C)[C@H](NC(=O)CCN)C(=O)O enzymemap_90858
AKRT006276 CC(C)[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O MNXR159508
AKRT006277 CC(C)[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)O MNXR158213
AKRT006278 CC(C)[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O>>CC(C)[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O MNXR163247
AKRT006279 CC(C)[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O MNXR159506
AKRT006280 CC(C)[C@H](N)C(=O)O.NC[C@H](NC(=O)C1OC1C(N)=O)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](CN)NC(=O)C1OC1C(N)=O)C(=O)O RXN-16294
AKRT006281 CC(C)[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)C(=O)O MNXR163105
AKRT006282 CC(C)[C@H](N)C(=O)O.N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O>>CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O enzymemap_32804
AKRT006283 CC(C)[C@H](N)C(=O)O.N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O>>CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O.Nc1ccc([N+](=O)[O-])cc1 None
AKRT006284 CC(C)[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>CC(C)C(NC(=O)CCC(N)C(=O)O)C(=O)O MNXR133279
AKRT006285 CC(C)[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O enzymemap_90520
AKRT006286 CC(C)[C@H](N)C(=O)O.N[C@@H](CCCC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O>>CC(C)[C@@H](NC(=O)C(CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O R04870
AKRT006287 CC(C)[C@H](N)C(=O)O.N[C@@H](CCCC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O>>CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O 6.3.2.26-RXN
AKRT006288 CC(C)[C@H](N)C(=O)O.N[C@@H](CNC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)O enzymemap_90752
AKRT006289 CC(C)[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O>>CC(C)[C@H](N)C(=O)N[C@@H](CO)C(=O)O enzymemap_90895
AKRT006290 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O MNXR163255
AKRT006291 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT006292 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)[C@@H]1CCCN1>>CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)O MNXR163089
AKRT006293 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)[C@@H]1CCCN1>>CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O MNXR163251
AKRT006294 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O enzymemap_90847
AKRT006295 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O enzymemap_90924
AKRT006296 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT006297 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O enzymemap_90857
AKRT006298 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT006299 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)C(N)C(O)=NC(Cc1ccccc1)C(=O)O MNXR129842
AKRT006300 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_90814
AKRT006301 CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)O enzymemap_90924
AKRT006302 CC(C)[C@H](N)C(=O)O.Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1>>CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21 MNXR141772
AKRT006303 CC(C)[C@H](N)C(=O)O.Nc1nc2c(ncn2COCCO)c(=O)[nH]1>>CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21 MNXR133627
AKRT006304 CC(C)[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@@H]1CCCN1>>CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT006305 CC(C)[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](N)C(=O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O RXN-22838
AKRT006306 CC(C)[C@H](N)C(=O)O.O=C(O)C(=O)Cc1c[nH]c2ccccc12>>CC(C)C(=O)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O None
AKRT006307 CC(C)[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>CC(C)C(=O)C(=O)O R01214
AKRT006308 CC(C)[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>CC(C)C(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O None
AKRT006309 CC(C)[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O R01214
AKRT006310 CC(C)[C@H](N)C(=O)O.O=C(O)Cc1c[nH]c2ccccc12>>CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O RXN-9083
AKRT006311 CC(C)[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1>>CC(C)C(N)C(=O)N1CCCC1C(=O)O MNXR130375
AKRT006312 CC(C)[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1>>CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O enzymemap_90828
AKRT006313 CC(C)[C@H](N)C(=O)O.O=CC(=O)O>>CC(C)C(=O)C(=O)O enzymemap_42063
AKRT006314 CC(C)[C@H](N)C(=O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>CC(C)[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O RXN-22775
AKRT006315 CC(C)[C@H](N)C(=O)O>>*C(=O)[C@@H](N)C(C)C RXN-22843
AKRT006316 CC(C)[C@H](N)C(=O)O>>*C(=O)[C@H](N)C(C)C RXN-22846
AKRT006317 CC(C)[C@H](N)C(=O)O>>CC(C)(CN)C(=O)O enzymemap_86770
AKRT006318 CC(C)[C@H](N)C(=O)O>>CC(C)/C=N/O R08663
AKRT006319 CC(C)[C@H](N)C(=O)O>>CC(C)C(=O)C(=O)O R01434
AKRT006320 CC(C)[C@H](N)C(=O)O>>CC(C)CN VALINE-DECARBOXYLASE-RXN
AKRT006321 CC(C)[C@H](N)C(=O)O>>CC(C)[C@@H](N)C(=O)O None
AKRT006322 CC(C)[C@H](N)C(=O)O>>CC(C)[C@H](NO)C(=O)O RXN-5063
AKRT006323 CC(C)[C@H](N)C(=O)O>>CC(CN)CC(=O)O enzymemap_86770
AKRT006324 CC(C)[C@H](N)C(=O)O>>CCC(N)C(=O)O enzymemap_42054
AKRT006325 CC(C)[C@H](N)C(=O)O>>CCC[C@@H](N)C(=O)O enzymemap_86794
AKRT006326 CC(C)[C@H](N)C(=O)O>>CCC[C@H](N)C(=O)O enzymemap_86770
AKRT006327 CC(C)[C@H](N)C(=O)O>>CC[C@@](C)(N)C(=O)O enzymemap_86794
AKRT006328 CC(C)[C@H](N)C(=O)O>>CC[C@H](N)C(=O)O enzymemap_42089
AKRT006329 CC(C)[C@H](N)C(=O)O>>CC[C@](C)(N)C(=O)O enzymemap_86770
AKRT006330 CC(C)[C@H](N)C(=O)O>>C[C@H](CO)[C@H](N)C(=O)O enzymemap_11102
AKRT006331 CC(C)[C@H](N)C(=O)O>>NCC(=O)O enzymemap_42060
AKRT006332 CC(C)[C@H](N)C(=O)O>>O=C=O R08663
AKRT006333 CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(=N)[nH]c21>>CC(C)[C@H](N)C(=O)O enzymemap_52924
AKRT006335 CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21>>CC(C)[C@H](N)C(=O)O enzymemap_52924
AKRT006337 CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(=N)[nH]c21>>CC(C)[C@H](N)C(=O)O enzymemap_52923
AKRT006339 CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21>>CC(C)[C@H](N)C(=O)O enzymemap_52923
AKRT006341 CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O>>CC(C)[C@H](N)C(=O)O enzymemap_52945
AKRT006342 CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O>>CC(C)[C@H](N)C(=O)O enzymemap_51127
AKRT006344 CC(C)[C@H](N)C(=O)OCc1ccc(NC(=N)N)cc1>>CC(C)[C@H](N)C(=O)O enzymemap_52938
AKRT006345 CC(C)[C@H](N)C(=O)OCc1ccc([N+](=O)[O-])cc1>>CC(C)[C@H](N)C(=O)O enzymemap_52946
AKRT006346 CC(C)[C@H](N)C(=O)OCc1cccc(NC(=N)N)c1>>CC(C)[C@H](N)C(=O)O enzymemap_52949
AKRT006347 CC(C)[C@H](N)C(=O)OCc1ccccc1>>CC(C)[C@H](N)C(=O)O enzymemap_52947
AKRT006349 CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)C1(F)F>>CC(C)[C@H](N)C(=O)O enzymemap_51118
AKRT006351 CC(C)[C@H](N)C(N)=O>>CC(C)[C@H](N)C(=O)O enzymemap_77367
AKRT006358 CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_32811
AKRT006361 CC(C)[C@H](NC(=O)CN)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_64688
AKRT006363 CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_67468
AKRT006364 CC(C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_67368
AKRT006368 CC(C)[C@H](NC(=O)CNC=O)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_67992
AKRT006370 CC(C)[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_68263
AKRT006372 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_77769
AKRT006376 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_76471
AKRT006378 CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_66478
AKRT006380 CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_64756
AKRT006382 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)/C=C/C(N)=O)C(=O)O>>CC(C)[C@H](N)C(=O)O MNXR186269
AKRT006386 CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_68221
AKRT006388 CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_66339
AKRT006390 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_67301
AKRT006391 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_66837
AKRT006392 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_65031
AKRT006400 CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_67965
AKRT006401 CC(C)[C@H](NC(=O)[C@H](CN)NC(=O)C1OC1C(N)=O)C(=O)O>>CC(C)[C@H](N)C(=O)O RXN-16294
AKRT006405 CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_67420
AKRT006410 CC(C)[C@H](NC(=O)c1ccccc1)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_76464
AKRT006411 CC(C)[C@H](NC(N)=O)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_77979
AKRT006413 CC(C)[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O>>CC(C)[C@H](N)C(=O)O RXN-22787
AKRT006474 CC(CN)CC(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_86770
AKRT006795 CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_76304
AKRT006796 CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O.CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O None
AKRT008561 CCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_76494
AKRT009563 CCC[C@@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_86794
AKRT009587 CCC[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_86770
AKRT009817 CC[C@@H](C)[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_42158
AKRT009846 CC[C@@](C)(N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_86794
AKRT010015 CC[C@H](C)[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_42060
AKRT010172 CC[C@H](N)C(=O)O.CC(C)CC(=O)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_42171
AKRT010301 CC[C@](C)(N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_86770
AKRT011054 COC(=O)[C@@H](N)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_52985
AKRT012320 CSCC[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_65235
AKRT012512 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_69381
AKRT012513 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O.CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O None
AKRT012587 CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)O)C(C)C>>CC(C)[C@H](N)C(=O)O enzymemap_68094
AKRT012687 C[C@@H](CCC(=O)C(=O)O)[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_42170
AKRT014882 Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)C(C)C)ccc12>>CC(C)[C@H](N)C(=O)O enzymemap_64822
AKRT014883 Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)C(C)C)ccc12>>CC(C)[C@H](N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12 None