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

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4-carboxybenzaldehyde

	Properties	Image
MNX_ID	MNXM10176
reference	chebi:189007
formula	C₈H₅O₃
global charge	-1
mol weight	149.125
InChIKey	GOUHYARYYWKXHS-UHFFFAOYSA-M
InChI	InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)/p-1
SMILES	O=CC1=CC=C(C(=O)[O-])C=C1

MNX internals

InChI (mnx)	InChI=1/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([C:8]([OH:10])=[O:11])=[CH:4][CH:2]=[C:6]1[CH:5]=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:189007 chebi:189007 GOUHYARYYWKXHS-UHFFFAOYSA-M	4-carboxybenzaldehyde 4-carboxybenzaldehyde(1-) 4-formylbenzoate 4-formylbenzoic acid anion p-carboxybenzaldehyde(1-) terephthalaldehydic acid anion
sabiork.compound:20088 sabiorkM:20088 GOUHYARYYWKXHS-UHFFFAOYSA-N	4-Carboxybenzaldehyde
hmdb:HMDB0246430 GOUHYARYYWKXHS-UHFFFAOYSA-N	4-Formylbenzoic acid 4-Carboxybenzaladehyde 4-FORMYLBENZOate 4-Formyl-benzoate 4-Formyl-benzoic acid 4-formylbenzoic acid Para-carboxybenzaldehyde
metacyc.compound:4-CARBOXYBENZALDEHYDE metacycM:4-CARBOXYBENZALDEHYDE seed.compound:cpd22107 seedM:cpd22107 GOUHYARYYWKXHS-UHFFFAOYSA-M	4-carboxybenzaldehyde
CHEBI:191179 chebi:191179 GOUHYARYYWKXHS-UHFFFAOYSA-N	4-formylbenzoic acid 4-CBA 4-carboxybenzaldehyde p-benzoic acid aldehyde p-carboxybenzaldehyde p-formylbenzoic acid para-carboxybenzaldehyde terephthalaldehydic acid terephthaldehydic acid
envipath:...30598d04c8e9 envipathM:...30598d04c8e9 GOUHYARYYWKXHS-UHFFFAOYSA-M	compound 0222905
seedM:M_cpd22107	secondary/obsolete/fantasy identifier