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N-acetyl-D-galactosamine

AlkaPlorer ID: AK001007

Synonym: 'N-Acetylgalactosamine', 'N-Acetyl-D-chondrosamine', 'Acetylglucosamine', 'N-Acetyl-D-galactosamine', 'MLS001333154', 'MLS001333153', 'MLSMR', 'SMR000857252', 'N-acetylmannosamine', 'N-Acetyl-D-glucosamine', 'Chitin', 'N-Acetyl-D-mannosamine', 'chitin', '4)-beta-D-GlcpNAc(1->n', 'GalNAc', 'beta-1,4-Poly-N-acetyl-D-glucosamine', '2-Acetamido-2-deoxy-D-galactose', 'acetylglucosamine', 'beta-N-Acetylglucosamine', 'N-acetyl-D-mannosamine', 'N-acetyl-D-galactosamine', 'N-Acetylmannosamine', 'ManNAc', '2-Acetamido-2-deoxy-D-mannose', '1,4-(N-Acetyl-beta-D-glucosaminyl)n', 'D-GalNAc'

IUPAC Name: N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Structure

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O

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InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1

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InChIKey: OVRNDRQMDRJTHS-FMDGEEDCSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 221.209

TPSA？: 119.25

MolLogP？: -3.077599999999999

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Cartilage Inhibition -1.0 % 10.1021/jm300074y
Bos taurus Cartilage Inhibition 5.4 % 10.1021/jm300074y
Bos taurus Cartilage Inhibition 9.3 % 10.1021/jm300074y
Cryptosporidium hominis Cryptosporidium hominis Activity 0.062 None 10.1074/jbc.m706950200
Cryptosporidium hominis Cryptosporidium hominis MIC 100000000.0 nM 10.1074/jbc.m706950200
Cryptosporidium parvum Cryptosporidium parvum Activity 0.124 None 10.1074/jbc.m706950200
Cryptosporidium parvum Cryptosporidium parvum MIC 50000000.0 nM 10.1074/jbc.m706950200
Escherichia coli Escherichia coli GI 0.0 % 10.1016/j.bmc.2016.12.024
Escherichia coli Escherichia coli GI 6.1 % 10.1016/j.bmc.2016.12.024
Escherichia coli Escherichia coli GI 7.8 % 10.1016/j.bmc.2016.12.024
Escherichia coli Escherichia coli GI 10.3 % 10.1016/j.bmc.2016.12.024
Escherichia coli Escherichia coli GI 14.7 % 10.1016/j.bmc.2016.12.024
Escherichia coli Escherichia coli MIC 100.0 ug.mL-1 10.1016/j.bmcl.2010.12.084
Escherichia coli O55:H7 Putative glycosyltransferase Activity 100.0 % 10.1016/j.bmc.2009.06.005
Escherichia coli O55:H7 Putative glycosyltransferase Activity nan None 10.1016/j.bmc.2009.06.005
Escherichia coli O55:H7 Putative glycosyltransferase Kcat 2.55 /min 10.1016/j.bmc.2009.06.005
Escherichia coli O55:H7 Putative glycosyltransferase Kcat/Km 7.89 None 10.1016/j.bmc.2009.06.005
Escherichia coli O55:H7 Putative glycosyltransferase Km 323000.0 nM 10.1016/j.bmc.2009.06.005
Escherichia coli O55:H7 Putative glycosyltransferase Vmax 179.0 pmol/min 10.1016/j.bmc.2009.06.005
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Early activation antigen CD69 IC50 125892.54 nM 10.1016/j.bmcl.2010.04.151
Homo sapiens Early activation antigen CD69 IC50 316227.77 nM 10.1016/j.bmcl.2010.05.109
Homo sapiens Early activation antigen CD69 IC50 1000000.0 nM 10.1016/j.bmc.2010.01.015
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 48.98 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 82.99 % 10.1124/mol.112.084152
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Mycobacterium avium Mycobacterium avium MIC 100.0 ug.mL-1 10.1016/j.bmcl.2010.12.084
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 100.0 ug.mL-1 10.1016/j.bmcl.2010.12.084
Plasmodium falciparum Plasmodium falciparum Activity 0.29 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.34 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.51 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.54 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.64 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.66 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.7 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.78 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.8 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.83 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.86 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.87 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.88 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.92 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 0.96 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.0 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.04 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.06 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.08 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.12 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.18 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.32 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.33 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.4 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 1.52 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Activity 2.14 None 10.1021/jm5009693
Plasmodium falciparum Plasmodium falciparum Inhibition nan % 10.1021/jm5009693
Pseudomonas aeruginosa Pseudomonas aeruginosa GI 0.0 % 10.1016/j.bmc.2016.12.024
Pseudomonas aeruginosa Pseudomonas aeruginosa GI 2.7 % 10.1016/j.bmc.2016.12.024
Pseudomonas aeruginosa Pseudomonas aeruginosa GI 12.5 % 10.1016/j.bmc.2016.12.024
Pseudomonas aeruginosa Pseudomonas aeruginosa GI nan None 10.1016/j.bmc.2016.12.024
Rattus norvegicus Killer cell lectin-like receptor subfamily B member 1A IC50 1995.26 nM 10.1016/j.bmcl.2010.04.151
Rattus norvegicus Killer cell lectin-like receptor subfamily B member 1A IC50 2511.89 nM 10.1016/j.bmcl.2010.05.109
Rattus norvegicus Killer cell lectin-like receptor subfamily B member 1A Inhibition nan % 10.1021/jm100055b
Staphylococcus aureus Staphylococcus aureus MIC 100.0 ug.mL-1 10.1016/j.bmcl.2010.12.084
None ADMET Activity 61.0 % 10.1021/jm300074y
None ADMET Activity 61.0 % 10.1021/jm800594c
None ADMET Activity 70.0 % 10.1021/jm300074y
None ADMET Activity 70.0 % 10.1021/jm800594c
None ADMET Activity 107.0 % 10.1021/jm300074y
None ADMET Activity 107.0 % 10.1021/jm800594c
None ADMET Ki 540000.0 nM 10.1016/s0960-894x(01)00474-7
None ADMET Ki 14300000.0 nM 10.1016/s0960-894x(01)00474-7
None ADMET Km 10500000.0 nM 10.1016/s0960-894x(01)00474-7
None ADMET Km 34600000.0 nM 10.1016/s0960-894x(01)00474-7
None ADMET Vmax 2.62 U mg-1 10.1016/s0960-894x(01)00474-7
None ADMET Vmax 4.73 U mg-1 10.1016/s0960-894x(01)00474-7
None NON-PROTEIN TARGET MIC 100.0 ug.mL-1 10.1016/j.bmcl.2010.12.084
None Unchecked Activity -1.0 % 10.1021/jm800594c
None Unchecked Activity 0.025 None 10.1074/jbc.m706950200
None Unchecked Activity 1.0 None 10.1016/j.bmc.2007.08.063
None Unchecked Activity 5.4 % 10.1021/jm800594c
None Unchecked Activity 9.3 % 10.1021/jm800594c
None Unchecked FC 2.9 None 10.1021/jm800594c
None Unchecked FC 4.3 None 10.1021/jm800594c
None Unchecked FC 4.5 None 10.1021/jm800594c
None Unchecked IC50 23000.0 nM 10.1016/j.bmc.2007.08.063
None Unchecked IC50 500000000.0 nM 10.1074/jbc.m706950200
None Unchecked IC50 1000000000.0 nM 10.1016/j.bmc.2007.08.063
None Unchecked Inhibition 13.6 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition 16.3 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition 18.8 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition 29.6 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition 36.2 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition 69.3 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition 81.3 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition 85.0 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition 86.5 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition 96.1 % 10.1016/j.bmc.2016.12.024
None Unchecked Inhibition nan % 10.1016/j.bmc.2016.12.024

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000558 *NC(=O)[C@@H](NC(*)=O)[C@@H](C)O.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>*NC(=O)[C@@H](NC(*)=O)[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O MNXR173797
AKRT000566 *NC(=O)[C@H](CO)NC(*)=O.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>*NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)NC(*)=O MNXR173795
AKRT001001 *O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>*O[C@H]1O[C@H](COP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O MNXR173376
AKRT002516 CC(=O)N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR173168
AKRT002568 CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59375
AKRT002798 CC(=O)N[C@@H]1C(O)O[C@@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_62535
AKRT002808 CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR173172
AKRT002895 CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO enzymemap_39655
AKRT002896 CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 None
AKRT003029 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]1O>>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O None
AKRT003030 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O None
AKRT003032 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@@H]1CO>>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O None
AKRT003034 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@]1(O)c1ccc([N+](=O)[O-])cc1>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_62476
AKRT003052 CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O R381-RXN
AKRT003150 CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR173074
AKRT003217 CC(=O)N[C@H]1C(OC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59974
AKRT003239 CC(=O)N[C@H]1C(Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59367
AKRT003240 CC(=O)N[C@H]1C(Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=[N+]([O-])c1ccc(O)cc1 None
AKRT003272 CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR173167
AKRT003299 CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O MNXR173881
AKRT003300 CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_36526
AKRT003313 CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR173620
AKRT003574 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>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_87162
AKRT003575 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>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 None
AKRT003641 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.CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O enzymemap_36171
AKRT003766 CC(=O)N[C@H]1[C@@H](Oc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_62325
AKRT003779 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O enzymemap_35758
AKRT003780 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O None
AKRT003781 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O enzymemap_34081
AKRT003782 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O R381-RXN
AKRT003783 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_7133
AKRT003784 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O MNXR186392
AKRT003785 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O MNXR129377
AKRT003788 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_60151
AKRT003797 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_35757
AKRT003800 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_57920
AKRT003801 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_61530
AKRT003802 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59822
AKRT003804 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_62973
AKRT003821 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR133248
AKRT003822 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O None
AKRT003825 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2OC(C(=O)O)=C[C@@H](O)[C@@H]2O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_60252
AKRT003839 CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_57957
AKRT003840 CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59072
AKRT003841 CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O None
AKRT003859 CC(=O)N[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](CO)O[C@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_62529
AKRT003913 CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_36526
AKRT003918 CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59271
AKRT003919 CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]4O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_62526
AKRT003976 CC(=O)N[C@H]1[C@H](Oc2ccc(Cl)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59953
AKRT003977 CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59936
AKRT003978 CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59930
AKRT003983 CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_58806
AKRT003984 CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=[N+]([O-])c1ccc(O)cc1 None
AKRT004008 CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59300
AKRT004009 CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.Cc1cc(=O)oc2cc(O)ccc12 None
AKRT004014 CC(=O)N[C@H]1[C@H](Oc2cccc([N+](=O)[O-])c2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59942
AKRT004016 CC(=O)N[C@H]1[C@H](Oc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59986
AKRT004042 CC(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59980
AKRT004095 CC(=O)O.N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR173166
AKRT004727 CC(=O)[CoA].N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR173169
AKRT006590 CC(O)=NC1C(Oc2ccc([N+](=O)O)cc2)OC(CO)C(O)C1O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O MNXR134062
AKRT012484 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O>>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_59913