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

Feedback

2,5-dihydroxybenzoate

	Properties	Image
MNX_ID	MNXM850
reference	chebi:58044
formula	C₇H₅O₄
global charge	-1
mol weight	153.113
InChIKey	WXTMDXOMEHJXQO-UHFFFAOYSA-M
InChI	InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)/p-1
SMILES	O=C([O-])C1=C(O)C=CC(O)=C1

MNX internals

InChI (mnx)	InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([OH:9])=[C:5]([C:7](=[O:10])[OH:11])[CH:3]=[C:4]1[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9750012 reactomeM:R-ALL-9750012 reactome:R-ALL-9750014 reactomeM:R-ALL-9750014 reactome:R-ALL-9750654 reactomeM:R-ALL-9750654 reactome:R-ALL-9750687 reactomeM:R-ALL-9750687 CHEBI:58044 chebi:58044 WXTMDXOMEHJXQO-UHFFFAOYSA-M	2,5-dihydroxybenzoate 2,5-dihydroxybenzoate anion 5-hydroxysalicylate gentisate hydroquinonecarboxylate
kegg.compound:C00628 keggC:C00628 WXTMDXOMEHJXQO-UHFFFAOYSA-N	2,5-Dihydroxybenzoate 2,5-Dihydroxybenzoic acid Gentisate Gentisic acid Hydroquinonecarboxylic acid
sabiork.compound:2123 sabiorkM:2123 WXTMDXOMEHJXQO-UHFFFAOYSA-N	2,5-Dihydroxybenzoate Gentisate Gentisic acid Hydroquinonecarboxylic acid
bigg.metabolite:HC00460 biggM:HC00460 WXTMDXOMEHJXQO-UHFFFAOYSA-M	2,5-dihydroxybenzoate
vmhM:25dhb vmhmetabolite:25dhb vmhM:HC00460 vmhmetabolite:HC00460 WXTMDXOMEHJXQO-UHFFFAOYSA-M WXTMDXOMEHJXQO-UHFFFAOYSA-N	2,5-dihydroxybenzoate 2,5-dihydroxybenzoic acid
reactome:R-ALL-5229239 reactomeM:R-ALL-5229239 reactome:R-ALL-5246483 reactomeM:R-ALL-5246483 CHEBI:17189 chebi:17189 WXTMDXOMEHJXQO-UHFFFAOYSA-N	2,5-dihydroxybenzoic acid 2,5-Dihydroxybenzoate 2,5-Dihydroxybenzoic acid 5-hydroxysalicylic acid Gentisate Gentisic acid Hydroquinonecarboxylic acid
envipath:...ca79ed2789a7 envipathM:...ca79ed2789a7 WXTMDXOMEHJXQO-UHFFFAOYSA-M	Gentisate
seed.compound:cpd00479 seedM:cpd00479 WXTMDXOMEHJXQO-UHFFFAOYSA-M	Gentisate 2,5-DHBA 2,5-Dihydroxybenzoate 2,5-Dihydroxybenzoic acid 2,5-dihydroxybenzoate 2,5-dihydroxybenzoic acid 2,5-dioxybenzoic acid 3,6-dihydroxybenzoic acid 5-hydroxysalicylate 5-hydroxysalicylic acid Gentisic acid Hydroquinonecarboxylic acid gentisate gentisic acid hydroquinonecarboxylic acid
hmdb:HMDB0000152 WXTMDXOMEHJXQO-UHFFFAOYSA-N	Gentisic acid 2,5-Dihydroxybenzoate 2,5-Dihydroxybenzoic acid 2,5-Dihydroxybenzoic acid, monosodium salt 2,5-Dioxybenzoate 2,5-Dioxybenzoic acid 2,5-dihydroxybenzoic acid 3,6-Dihydroxybenzoate 3,6-Dihydroxybenzoic acid 5-Hydroxy-salicylate 5-Hydroxy-salicylic acid 5-Hydroxysalicylate 5-Hydroxysalicylic acid Carboxyhydroquinone Dihydroxybenzoicacid Gensigen Gensigon Gentisate Gentisinate Gentisinic acid Hydroquinone carboxylic acid Hydroquinonecarboxylate Hydroquinonecarboxylic acid Lithium 2,5-dihydroxybenzoate
envipath:...2fadfc227d56 envipathM:...2fadfc227d56 WXTMDXOMEHJXQO-UHFFFAOYSA-N	compound 0046079
metacyc.compound:CPD-633 metacycM:CPD-633 WXTMDXOMEHJXQO-UHFFFAOYSA-M	gentisate 2,5-DHBA 2,5-dihydroxybenzoate 2,5-dihydroxybenzoic acid 2,5-dioxybenzoic acid 3,6-dihydroxybenzoic acid 5-hydroxysalicylate 5-hydroxysalicylic acid gentisic acid hydroquinonecarboxylic acid
hmdb:HMDB00152 chebi:11451 chebi:19381 chebi:19382 chebi:936 biggM:M_HC00460 keggC:M_C00628 seedM:M_cpd00479 vmhM:M_25dhb vmhM:M_HC00460	secondary/obsolete/fantasy identifier