MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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3-amino-4-hydroxybenzoate

	Properties	Image
MNX_ID	MNXM5513
reference	chebi:60005
formula	C₇H₆NO₃
global charge	-1
mol weight	152.129
InChIKey	MRBKRZAPGUCWOS-UHFFFAOYSA-M
InChI	InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)/p-1
SMILES	NC1=CC(C(=O)[O-])=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([OH:9])=[C:5]([NH2:8])[CH:3]=[C:4]1[C:7](=[O:10])[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60005 chebi:60005 MRBKRZAPGUCWOS-UHFFFAOYSA-M	3-amino-4-hydroxybenzoate 3-amino-4-hydroxybenzoate anion
seed.compound:cpd08897 seedM:cpd08897 MRBKRZAPGUCWOS-UHFFFAOYSA-M	3,4-AHBA 3-Amino-4-hydroxybenzoate 3-Amino-4-hydroxybenzoic acid 3-amino-4-hydroxybenzoate 3-amino-4-hydroxybenzoic acid 5-amino saliciylic acid
kegg.compound:C12115 keggC:C12115 MRBKRZAPGUCWOS-UHFFFAOYSA-N	3-Amino-4-hydroxybenzoate 3,4-AHBA 3-Amino-4-hydroxybenzoic acid
sabiork.compound:14151 sabiorkM:14151 MRBKRZAPGUCWOS-UHFFFAOYSA-M	3-Amino-4-hydroxybenzoic acid 3,4-AHBA
hmdb:HMDB0304941 MRBKRZAPGUCWOS-UHFFFAOYSA-N	3-Amino-4-hydroxybenzoic acid 3,4-AHBA 3-Amino-4-hydroxybenzoate 3-amino-4-hydroxybenzoic acid Cheetan cheetan
metacyc.compound:CPD-14873 metacycM:CPD-14873 MRBKRZAPGUCWOS-UHFFFAOYSA-M	3-amino-4-hydroxybenzoate 3,4-AHBA 3-amino-4-hydroxybenzoic acid 5-amino saliciylic acid
CHEBI:29476 chebi:29476 MRBKRZAPGUCWOS-UHFFFAOYSA-N	3-amino-4-hydroxybenzoic acid 3,4-AHBA
chebi:491503 keggC:M_C12115 seedM:M_cpd08897	secondary/obsolete/fantasy identifier