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name Structure Reference Source Properties Activities Metabolism

Tryptamine

AlkaPlorer ID: AK001928

Synonym: 1H-Indole-3-ethanamine, 3-(2-Aminoethyl)indole, 2-(3-Indolyl)ethylamine 

IUPAC Name: 2-(1H-indol-3-yl)ethanamine

Structure

SMILES: NCCC1=CNC2=C1C=CC=C2

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InChI: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2

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InChIKey: APJYDQYYACXCRM-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus fumigatus Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Gavia immer Gavia Gaviidae Gaviiformes Aves Chordata Metazoa Eukaryota
Halimeda macroloba Halimeda Halimedaceae Bryopsidales Ulvophyceae Chlorophyta Viridiplantae Eukaryota
Hordeum vulgare Hordeum Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Eucalyptus macrocarpa Eucalyptus Myrtaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aruncus dioicus Aruncus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dioscorea alata Dioscorea Dioscoreaceae Dioscoreales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nicotiana tabacum Nicotiana Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dendrobium wardianum Dendrobium Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lecanora conizaeoides Lecanora Lecanoraceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Valeriana jatamansi Valeriana Caprifoliaceae Dipsacales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Artemisia oranensis Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum lycopersicum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Symplocos lancifolia Symplocos Symplocaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Zea mays Zea Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vitex megapotamica Vitex Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota
Arctostaphylos uva-ursi Arctostaphylos Ericaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bufo gargarizans Bufo Bufonidae Anura Amphibia Chordata Metazoa Eukaryota
Eucalyptus sieberi Eucalyptus Myrtaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cortinarius rubellus Cortinarius Cortinariaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Pyrola chlorantha Pyrola Ericaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Prosopis juliflora Prosopis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Strychnos fendleri Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cinchona pubescens Cinchona Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hesperocyparis macrocarpa Hesperocyparis Cupressaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota
Pleurotus citrinopileatus Pleurotus Pleurotaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Melochia pyramidata Melochia Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vicia villosa Vicia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum tuberosum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mus musculus Mus Muridae Rodentia Mammalia Chordata Metazoa Eukaryota
None Paramuricea Plexauridae Malacalcyonacea Anthozoa Cnidaria Metazoa Eukaryota
Buxus sempervirens Buxus Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vellozia epidendroides Vellozia Velloziaceae Pandanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Alstroemeria aurea Alstroemeria Alstroemeriaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cucumis sativus Cucumis Cucurbitaceae Cucurbitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bufo bufo Bufo Bufonidae Anura Amphibia Chordata Metazoa Eukaryota
Saururus cernuus Saururus Saururaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Potentilla multifida Potentilla Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Malbranchea cinnamomea Malbranchea Malbrancheaceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota
Streptomyces plumbeus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Centaurea imperialis Centaurea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lactarius atlanticus Lactarius Russulaceae Russulales Agaricomycetes Basidiomycota Fungi Eukaryota
Duttaphrynus melanostictus Duttaphrynus Bufonidae Anura Amphibia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 160.22

TPSA？: 41.81

MolLogP？: 1.6691

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 51.0 ug.mL-1 10.1016/j.bmcl.2016.10.004
Aspergillus fumigatus Brevianamide F prenyltransferase Activity 1.1 % 10.1021/np800501m
Aspergillus fumigatus Brevianamide F prenyltransferase Activity 5.3 % 10.1021/np800501m
Bacillus subtilis Bacillus subtilis MIC 51.0 ug.mL-1 10.1016/j.bmcl.2016.10.004
Candida albicans Candida albicans MBIC50 128.0 ug ml-1 10.1016/j.ejmech.2019.01.012
Candida albicans Candida albicans MIC50 128.0 ug.mL-1 10.1016/j.ejmech.2019.01.012
Catharanthus roseus Strictosidine synthase Km 7400.0 nM 10.1016/j.bmcl.2006.01.098
Escherichia coli Escherichia coli MIC 51.0 ug.mL-1 10.1016/j.bmcl.2016.10.004
Homo sapiens A549 Activity nan None 10.1021/acs.jnatprod.2c01032
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 32629.4 nM None
Homo sapiens Cathepsin K IC50 15000.0 nM 10.1021/np010500l
Homo sapiens Cerebroside-sulfatase Potency 601.2 nM None
Homo sapiens Cytochrome P450 1A2 AC50 3162.28 nM None
Homo sapiens Cytochrome P450 2A13 Kd 5200.0 nM 10.1124/dmd.112.045161
Homo sapiens Cytochrome P450 2A13 Ki 16000.0 nM 10.1124/dmd.112.045161
Homo sapiens Cytochrome P450 2A6 Activity nan None None
Homo sapiens Cytochrome P450 2A6 Kd 2300.0 nM 10.1124/dmd.112.045161
Homo sapiens Cytochrome P450 2A6 Ki 1700.0 nM 10.1124/dmd.112.045161
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 2D6 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 Potency 39810.7 nM None
Homo sapiens Dopamine D1 receptor Potency 1299.5 nM None
Homo sapiens Dopamine D1 receptor Potency 25929.0 nM None
Homo sapiens Geminin Potency 6513.1 nM None
Homo sapiens HCT-116 Activity nan None 10.1021/acs.jnatprod.2c01032
Homo sapiens HEK293 Potency 29081.0 nM None
Homo sapiens HepG2 Activity nan None 10.1021/acs.jnatprod.2c01032
Homo sapiens HT-1080 Activity nan None 10.1021/acs.jnatprod.2c01032
Homo sapiens Indoleamine 2,3-dioxygenase Activity 0.0 % 10.1021/ml500385d
Homo sapiens Indoleamine 2,3-dioxygenase Activity nan None 10.1021/ml500385d
Homo sapiens Indoleamine 2,3-dioxygenase Ki 156000.0 nM 10.1039/C9MD00208A
Homo sapiens Indoleamine 2,3-dioxygenase Ki 160000.0 nM 10.1021/acs.jmedchem.5b00326
Homo sapiens Lysine-specific demethylase 4A Potency 50118.7 nM None
Homo sapiens MCF7 IC50 50000.0 nM 10.1021/acsmedchemlett.7b00282
Homo sapiens MDA-MB-231 IC50 50000.0 nM 10.1021/acsmedchemlett.7b00282
Homo sapiens Muscleblind-like protein 1 Potency 141.3 nM None
Homo sapiens Myeloperoxidase IC50 770.0 nM 10.1021/jm4001538
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 10322.5 nM None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 12589.3 nM None
Homo sapiens Serotonin 1b (5-HT1b) receptor Ki 36.0 nM 10.1021/jm950498t
Homo sapiens Serotonin 1d (5-HT1d) receptor Intrinsic activity 0.86 None 10.1021/jm00018a016
Homo sapiens Serotonin 1d (5-HT1d) receptor Ki 23.0 nM 10.1021/jm950498t
Homo sapiens Serotonin 1d (5-HT1d) receptor Ki 61.0 nM 10.1021/jm950498t
Homo sapiens Serotonin 1d (5-HT1d) receptor p[A50] 6.9 None 10.1021/jm00018a016
Homo sapiens Serotonin 1d (5-HT1d) receptor Selectivity 1.7 None 10.1021/jm950498t
Homo sapiens Serotonin 2a (5-HT2a) receptor EC50 7.36 nM 10.1016/j.bmcl.2014.07.062
Homo sapiens Serotonin 2a (5-HT2a) receptor Emax 104.0 % 10.1016/j.bmcl.2014.07.062
Homo sapiens Serotonin 2a (5-HT2a) receptor p[A50] 6.1 None 10.1021/jm00018a016
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 50.0 nM 10.1021/jm00384a001
Homo sapiens Serotonin 6 (5-HT6) receptor Ki 70.0 nM 10.1007/s00044-004-0121-8
Homo sapiens Serotonin 6 (5-HT6) receptor Ki 180.0 nM 10.1021/jm990550b
Homo sapiens Serotonin 7 (5-HT7) receptor Ki 158.49 nM 10.1016/j.ejmech.2019.111705
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 101.01 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 104.08 % 10.1124/mol.112.084152
Homo sapiens Trace amine-associated receptor 1 EC50 2210.0 nM 10.1021/acsmedchemlett.1c00527
Homo sapiens Trace amine-associated receptor 1 Emax 102.0 % 10.1021/acsmedchemlett.1c00527
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens WI-38 Activity nan None 10.1021/acs.jnatprod.2c01032
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Human immunodeficiency virus type 1 Tat protein IC50 11753.0 nM None
Mus musculus Mus musculus Activity nan None 10.1021/jm00201a003
Mus musculus Mus musculus MED 25.0 mg kg-1 10.1021/jm00201a003
Mus musculus NIH3T3 Activity nan None 10.1021/acs.jnatprod.2c01032
Plasmodium falciparum Plasmodium falciparum Potency 13115.4 nM None
Plenodomus lingam Plenodomus lingam GI 12.0 % 10.1021/jf302038a
Plenodomus lingam Plenodomus lingam GI 15.0 % 10.1021/jf302038a
Plenodomus lingam Plenodomus lingam GI 28.0 % 10.1021/jf302038a
Rattus norvegicus Adrenergic receptor alpha-2 Ki 19000.0 nM 10.1016/j.bmcl.2003.11.078
Rattus norvegicus Dopamine transporter EC50 164.0 nM 10.1016/j.bmcl.2014.07.062
Rattus norvegicus Norepinephrine transporter EC50 716.0 nM 10.1016/j.bmcl.2014.07.062
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 169.82 nM 10.1021/jm950410b
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 170.0 nM 10.1021/jm00384a001
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki 10200.0 nM 10.1021/jm00384a001
Rattus norvegicus Serotonin 2 (5-HT2) receptor Ki 50.0 nM 10.1021/jm00384a001
Rattus norvegicus Serotonin 2 (5-HT2) receptor Ki 2895.0 nM 10.1021/jm00384a001
Rattus norvegicus Serotonin 2b (5-HT2b) receptor Kd 537.03 nM 10.1021/jm00343a013
Rattus norvegicus Serotonin transporter EC50 32.6 nM 10.1016/j.bmcl.2014.07.062
Rattus norvegicus Trace amine-associated receptor 1 EC50 310.0 nM 10.1021/acs.jmedchem.7b00085
Saccharomyces cerevisiae Saccharomyces cerevisiae EC50 300000.0 nM 10.1016/j.ejmech.2022.114845
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 17.65 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.09 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus MIC 51.0 ug.mL-1 10.1016/j.bmcl.2016.10.004
Trypanosoma brucei 6-phospho-1-fructokinase Potency 7568.6 nM None
None ADMET Binding energy 7.9 kCal mol-1 10.1021/jm00378a021
None ADMET LogP app -5.27 None 10.1016/j.bmc.2007.03.040
None ADMET Ratio 2.3 None 10.1124/dmd.112.045161
None ADMET Ratio Ki 9.4 None 10.1124/dmd.112.045161
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2010.07.059
None NON-PROTEIN TARGET CC50 40000.0 nM None
None NON-PROTEIN TARGET FC 1.86 None 10.1016/j.ejmech.2010.07.059
None NON-PROTEIN TARGET IC50 6000.0 nM 10.1016/j.ejmech.2010.07.059
None NON-PROTEIN TARGET IC50 10400.0 nM 10.1016/j.ejmech.2010.07.059
None NON-PROTEIN TARGET IC50 31800.0 nM 10.1016/j.ejmech.2010.07.059
None NON-PROTEIN TARGET IC50 682000.0 nM 10.1016/j.ejmech.2010.07.059
None NON-PROTEIN TARGET Inhibition nan % 10.1016/j.ejmech.2010.07.059
None No relevant target IC50 672000.0 nM 10.1016/j.ejmech.2010.07.059
None No relevant target LogP 1.35 None 10.1016/j.bmc.2007.03.040
None No relevant target Retention_time 9.0 min 10.1021/ml500385d
None No relevant target Solubility 80.0 ug.mL-1 10.1016/j.bmc.2010.08.003
None Unchecked Activity 1.0 % 10.1021/np800501m
None Unchecked Activity 3.3 % 10.1021/np800501m
None Unchecked Activity nan None 10.1016/j.bmcl.2009.07.082
None Unchecked Activity nan None 10.1021/acs.jnatprod.2c01032
None Unchecked IC50 1660.0 nM None
None Unchecked Inhibition -5.3 % 10.1016/j.ejmech.2018.10.027
None Unchecked Ki 5400.0 nM 10.1016/j.bmcl.2003.11.078
None Unchecked Potency 35481.3 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001880 C=C[C@@H]1[C@H](CC=O)C(C(=O)O)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.NCCc1c[nH]c2ccccc12>>C=C[C@@H]1[C@H](C[C@@H]2NCCc3c2[nH]c2ccccc32)C(C(=O)O)=CO[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O RXN-19641
AKRT001882 C=C[C@@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.NCCc1c[nH]c2ccccc12>>C=C[C@@H]1[C@H](C[C@@H]2NCCc3c2[nH]c2ccccc32)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O None
AKRT001887 C=C[C@@H]1[C@H](C[C@@H]2NCCc3c2[nH]c2ccccc32)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>C=C[C@@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.NCCc1c[nH]c2ccccc12 None
AKRT001904 C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O.NCCc1c[nH]c2ccccc12>>C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 R03738
AKRT001905 C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O.NCCc1c[nH]c2ccccc12>>C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 STRICTOSIDINE-SYNTHASE-RXN
AKRT001910 C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21>>NCCc1c[nH]c2ccccc12 enzymemap_85918
AKRT002494 CC(=O)NCCc1c[nH]c2ccccc12>>NCCc1c[nH]c2ccccc12 67204
AKRT004409 CC(=O)[32S].NCCc1c[nH]c2ccccc12>>CC(=O)NCCc1c[nH]c2ccccc12 None
AKRT004647 CC(=O)[CoA].NCCc1c[nH]c2ccccc12>>CC(=O)NCCc1c[nH]c2ccccc12 66196
AKRT005229 CC(C)=CCOP(=O)(O)OP(=O)(O)O.NCCc1c[nH]c2ccccc12>>CC(C)=CCc1cccc2[nH]cc(CCN)c12 enzymemap_40435
AKRT005230 CC(C)=CCOP(=O)(O)OP(=O)(O)O.NCCc1c[nH]c2ccccc12>>CC(C)=CCc1cccc2c(CCN)c[nH]c12 enzymemap_41325
AKRT009770 CCO[C@@H]1C[C@H](CC=O)C(C(=O)OC)=CO1.NCCc1c[nH]c2ccccc12>>CCO[C@@H]1C[C@H](C[C@@H]2NCCc3c2[nH]c2ccccc32)C(C(=O)OC)=CO1 enzymemap_85937
AKRT009771 CCO[C@H]1C[C@H](CC=O)C(C(=O)OC)=CO1.NCCc1c[nH]c2ccccc12>>CCO[C@H]1C[C@H](C[C@@H]2NCCc3c2[nH]c2ccccc32)C(C(=O)OC)=CO1 enzymemap_85934
AKRT010230 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC=O.NCCc1c[nH]c2ccccc12>>CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21 R05895
AKRT011004 COC(=O)C1=CO[C@@H](OC(C)(C)C)C[C@@H]1CC=O.NCCc1c[nH]c2ccccc12>>COC(=O)C1=CO[C@@H](OC(C)(C)C)C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 enzymemap_85938
AKRT011005 COC(=O)C1=CO[C@@H](OC2CCCCC2)C[C@@H]1CC=O.NCCc1c[nH]c2ccccc12>>COC(=O)C1=CO[C@@H](OC2CCCCC2)C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 enzymemap_85933
AKRT011006 COC(=O)C1=CO[C@@H](OCC(C)C)C[C@@H]1CC=O.NCCc1c[nH]c2ccccc12>>COC(=O)C1=CO[C@@H](OCC(C)C)C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 enzymemap_85932
AKRT011009 COC(=O)C1=CO[C@H](OC(C)(C)C)C[C@@H]1CC=O.NCCc1c[nH]c2ccccc12>>COC(=O)C1=CO[C@H](OC(C)(C)C)C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 enzymemap_85935
AKRT011010 COC(=O)C1=CO[C@H](OCC(C)C)C[C@@H]1CC=O.NCCc1c[nH]c2ccccc12>>COC(=O)C1=CO[C@H](OCC(C)C)C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 enzymemap_85936
AKRT011433 COc1cc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)ccc1O>>NCCc1c[nH]c2ccccc12 MNXR172604
AKRT011508 COc1cc(/C=C/C(=O)[CoA])ccc1O.NCCc1c[nH]c2ccccc12>>COc1cc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)ccc1O enzymemap_28453
AKRT014597 C[SAH].C[SAH].NCCc1c[nH]c2ccccc12>>CN(C)CCc1c[nH]c2cccc(O)c12 MNXR112024
AKRT014656 C[SAH].NCCc1c[nH]c2ccccc12>>CNCCc1c[nH]c2ccccc12 R02174
AKRT015343 Cc1ncc(COP(=O)(O)O)c(CNCCc2c[nH]c3ccccc23)c1O>>NCCc1c[nH]c2ccccc12 enzymemap_22619
AKRT018364 NCCc1c[nH]c2ccccc12.CC(C)CC=O>>CC(C)C[C@H]1NCCc2c1[nH]c1ccccc21 retrobiocat_943
AKRT018365 NCCc1c[nH]c2ccccc12.CC=O>>C[C@H]1NCCc2c1[nH]c1ccccc21 retrobiocat_945
AKRT018366 NCCc1c[nH]c2ccccc12.CCCC=O>>CCC[C@H]1NCCc2c1[nH]c1ccccc21 retrobiocat_944
AKRT018367 NCCc1c[nH]c2ccccc12.CCCCCC=O>>CCCCC[C@H]1NCCc2c1[nH]c1ccccc21 retrobiocat_946
AKRT018368 NCCc1c[nH]c2ccccc12.COC(=O)CCC=O>>COC(=O)CC[C@H]1NCCc2c1[nH]c1ccccc21 retrobiocat_947
AKRT018369 NCCc1c[nH]c2ccccc12.O=C([32S])/C=C/c1ccc(O)cc1>>O=C(/C=C/c1ccc(O)cc1)NCCc1c[nH]c2ccccc12 None
AKRT018370 NCCc1c[nH]c2ccccc12.O=C([CoA])c1ccccc1>>OC(=NCCc1c[nH]c2ccccc12)c1ccccc1 MNXR172602
AKRT018371 NCCc1c[nH]c2ccccc12>>NCCc1c[nH]c2ccc(O)cc12 RXN-8707
AKRT018372 NCCc1c[nH]c2ccccc12>>NCCc1c[nH]c2cccc(O)c12 RXN-19089
AKRT018373 NCCc1c[nH]c2ccccc12>>O=CCc1c[nH]c2ccccc12 RXN-1401
AKRT018374 NCCc1c[nH]c2ccccc12>>ONCCc1c[nH]c2ccccc12 RXN-1405
AKRT019791 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>NCCc1c[nH]c2ccccc12 AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN
AKRT019792 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>NCCc1c[nH]c2ccccc12.O=C=O None
AKRT022299 O=C(/C=C/c1ccc(O)c(O)c1)NCCc1c[nH]c2ccccc12>>NCCc1c[nH]c2ccccc12 MNXR172603
AKRT023415 O=C([CoA])/C=C/c1ccc(O)c(O)c1.NCCc1c[nH]c2ccccc12>>O=C(/C=C/c1ccc(O)c(O)c1)NCCc1c[nH]c2ccccc12 enzymemap_28467
AKRT023425 O=C([CoA])/C=C/c1ccc(O)cc1.NCCc1c[nH]c2ccccc12>>O=C(/C=C/c1ccc(O)cc1)NCCc1c[nH]c2ccccc12 enzymemap_28470
AKRT024982 c1ccc2c3c([nH]c2c1)CNCC3>>NCCc1c[nH]c2ccccc12 MNXR138761