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p-hydroxyhippuric acid

AlkaPlorer ID: AK010856

Synonym: '4-Hydroxyhippuric acid', '4-Hydroxybenzoylglycine'

IUPAC Name: 2-[(4-hydroxybenzoyl)amino]acetic acid

Structure

SMILES: O=C(O)CNC(=O)C1=CC=C(O)C=C1

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InChI: InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)

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InChIKey: ZMHLUFWWWPBTIU-UHFFFAOYSA-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: 195.174

TPSA？: 86.63000000000001

MolLogP？: 0.2065999999999997

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Solute carrier family 22 member 6 IC50 25000.0 nM 10.1038/sj.bjp.0704482
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Activity 0.6 None 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Km 1700000.0 nM 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Ratio 3.5 10'3/M/s 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Vmax(app) 5.8 /s 10.1016/j.bmc.2008.10.013

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT016128 N=C(N)NCCC[C@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O.O=C(O)CNC(=O)c1ccc(O)cc1 None
AKRT016129 N=C(N)NCCC[C@H](NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)O>>O=C(O)CNC(=O)c1ccc(O)cc1 enzymemap_67616
AKRT022893 O=C(O)CNC(=O)c1ccc(O)cc1>>NCC(=O)O enzymemap_77820
AKRT022894 O=C(O)CNC(=O)c1ccc(O)cc1>>O=C(O)c1ccc(O)cc1 enzymemap_77820