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3-Amino-5-hydroxybenzoic acid

AlkaPlorer ID: AK010590

Synonym: 3,5-AHBA

IUPAC Name: 3-amino-5-hydroxybenzoic acid

Structure

SMILES: NC1=CC(O)=CC(C(=O)O)=C1

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InChI: InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11)

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InChIKey: QPEJHSFTZVMSJH-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Arenicola Arenicolidae None Polychaeta Annelida Metazoa Eukaryota

Properties Information

Molecule Weight: 153.137

TPSA？: 83.55

MolLogP？: 0.6726000000000001

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000669 *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(N)cc(O)c1)C(*)=O>>Nc1cc(O)cc(C(=O)O)c1 MNXR177507
AKRT020150 N[C@@H]1CC(C(=O)O)=CC(=O)[C@H]1O>>Nc1cc(O)cc(C(=O)O)c1 RXN-9587
AKRT020570 Nc1cc(O)cc(C(=O)O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1cc(O)cc(C(=O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1 RXN-22929
AKRT020571 Nc1cc(O)cc(C(=O)O)c1>>*C(=O)c1cc(N)cc(O)c1 RXN-20268
AKRT020572 Nc1cc(O)cc(C(=O)O)c1>>Nc1cc(O)cc(O)c1 RXN-23298
AKRT020573 Nc1cc(O)cc(C(=O)O)c1>>O=C=O RXN-23298