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

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benzoate

	Properties	Image
MNX_ID	MNXM217
reference	chebi:16150
formula	C₇H₅O₂
global charge	-1
mol weight	121.115
InChIKey	WPYMKLBDIGXBTP-UHFFFAOYSA-M
InChI	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
SMILES	O=C([O-])C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:6]([C:7](=[O:8])[OH:9])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	70
in models (compartimentalized)	28

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9728944 reactomeM:R-ALL-9728944 CHEBI:16150 chebi:16150 WPYMKLBDIGXBTP-UHFFFAOYSA-M	benzoate Benzenecarboxylate Benzeneformate Benzenemethanoate Phenylcarboxylate Phenylformate benzoate anion benzoic acid, ion(1-)
kegg.compound:C00539 keggC:C00539 WPYMKLBDIGXBTP-UHFFFAOYSA-N	Aromatic acid Aromatic carboxylic acid
bigg.metabolite:bz biggM:bz envipath:...63ac4d9d4d4f envipathM:...63ac4d9d4d4f WPYMKLBDIGXBTP-UHFFFAOYSA-M	Benzoate
seed.compound:cpd00153 seedM:cpd00153 WPYMKLBDIGXBTP-UHFFFAOYSA-M	Benzoate Aromatic acid Aromatic carboxylic acid Benzenecarboxylic acid Benzoic acid Dracylic acid Phenylformic acid benzenecarboxylic acid benzoate benzoic acid bz phenylformic acid
sabiork.compound:1912 sabiorkM:1912 WPYMKLBDIGXBTP-UHFFFAOYSA-N	Benzoate Benzenecarboxylic acid Benzoic acid Dracylic acid Phenyl formate Phenylformic acid
kegg.compound:C00180 keggC:C00180 WPYMKLBDIGXBTP-UHFFFAOYSA-N	Benzoate Benzenecarboxylic acid Benzoic acid Dracylic acid Phenylformic acid
envipath:...6109781dc1ec envipathM:...6109781dc1ec WPYMKLBDIGXBTP-UHFFFAOYSA-N	Benzoic acid
kegg.drug:D00038 keggD:D00038 WPYMKLBDIGXBTP-UHFFFAOYSA-N	Benzoic acid (JP18/USP) Benzoic acid (TN)
hmdb:HMDB0001870 WPYMKLBDIGXBTP-UHFFFAOYSA-N	Benzoic acid Acid, benzoic Acide benzoique Aromatic carboxylate Aromatic carboxylic acid Benzenecarboxylate Benzenecarboxylic acid Benzeneformate Benzeneformic acid Benzenemethanoate Benzenemethanoic acid Benzenemethonic acid Benzoate Benzoate, potassium Benzoesaeure Benzoic acid sodium salt Carboxybenzene Diacylate Diacylic acid Dracylate Dracylic acid Kendall brand OF benzoic acid sodium salt Oracylic acid Phenylcarboxylate Phenylcarboxylic acid Phenylformate Phenylformic acid Potassium benzoate Sodium benzoate Sodium benzoic acid Ucephan benzoic acid e210
hmdb:HMDB0304270 WPYMKLBDIGXBTP-UHFFFAOYSA-M	benzoate Acids, benzoic Benzenecarboxylate Benzenecarboxylic acid Benzeneformate Benzeneformic acid Benzenemethanoate Benzenemethanoic acid Benzoate anion Benzoate, ion(1-) Benzoates Benzoic acid Benzoic acid anion Benzoic acid, ion(1-) Benzoic acids Phenylcarboxylate Phenylcarboxylic acid Phenylformate Phenylformic acid
metacyc.compound:BENZOATE metacycM:BENZOATE WPYMKLBDIGXBTP-UHFFFAOYSA-M	benzoate benzenecarboxylic acid benzoic acid phenylformic acid
vmhM:bz vmhmetabolite:bz WPYMKLBDIGXBTP-UHFFFAOYSA-M	benzoate benzoic acid
reactome:R-ALL-159446 reactomeM:R-ALL-159446 CHEBI:30746 chebi:30746 WPYMKLBDIGXBTP-UHFFFAOYSA-N	benzoic acid Aromatic carboxylic acid BENZOIC ACID Benzenecarboxylic acid Benzeneformic acid Benzenemethanoic acid Benzoesaeure Benzoic acid Dracylic acid E210 Phenylcarboxylic acid Phenylformic acid acide benzoique
envipath:...d98fd864baf2 envipathM:...d98fd864baf2 WPYMKLBDIGXBTP-UHFFFAOYSA-M	compound 0000126
envipath:...ceb9fae59cc8 envipathM:...ceb9fae59cc8 WPYMKLBDIGXBTP-UHFFFAOYSA-N	compound 0003960
envipath:...b7b932055dbd envipathM:...b7b932055dbd WPYMKLBDIGXBTP-UHFFFAOYSA-N	compound 0003961
envipath:...fcfde47d1d15 envipathM:...fcfde47d1d15 WPYMKLBDIGXBTP-UHFFFAOYSA-M	compound 0037916
hmdb:HMDB01870 chebi:13879 chebi:22717 chebi:22722 chebi:3029 chebi:41051 biggM:M_bz keggC:M_C00180 keggC:M_C00539 keggD:M_D00038 seedM:M_cpd00153 vmhM:M_bz	secondary/obsolete/fantasy identifier