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

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4-methylbenzaldehyde

	Properties	Image
MNX_ID	MNXM4077
reference	chebi:28617
formula	C₈H₈O
global charge	0
mol weight	120.151
InChIKey	FXLOVSHXALFLKQ-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
SMILES	CC1=CC=C(C=O)C=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:3][CH:5]=[C:8]([CH:6]=[O:9])[CH:4]=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28617 chebi:28617 FXLOVSHXALFLKQ-UHFFFAOYSA-N	4-methylbenzaldehyde 4-Methylbenzaldehyde 4-Tolualdehyde 4-Toluylaldehyde PTAL Paratolualdehyde p-Formyltoluene p-Methylbenzaldehyde p-Tolualdehyde p-Toluylaldehyde p-Tolylaldehyde p-tolualdehyde para-Methylbenzaldehyde para-Tolualdehyde para-Toluyl aldehyde
hmdb:HMDB0029638 FXLOVSHXALFLKQ-UHFFFAOYSA-N	4-Methylbenzaldehyde 4-Methyl-benzaldehyde 4-Tolualdehyde 4-Toluylaldehyde P-Tolualdehyde P-Toluic aldehyde PTAL Para-methylbenzaldehyde Para-tolualdehyde Para-toluyl aldehyde Paratolualdehyde p-Formyltoluene p-Methylbenzaldehyde p-Toluylaldehyde p-Tolylaldehyde
sabiork.compound:20928 sabiorkM:20928 FXLOVSHXALFLKQ-UHFFFAOYSA-N	4-Tolualdehyde
metacyc.compound:CPD-8773 metacycM:CPD-8773 FXLOVSHXALFLKQ-UHFFFAOYSA-N	4-methylbenzaldehyde 4-tolualdehyde p-4-methylbenzaldehyde p-tolualdehyde p-toluylaldehyde para-tolualdehyde
bigg.metabolite:4mbzald biggM:4mbzald	P-methylbenzaldehyde
vmhM:pftln vmhmetabolite:pftln FXLOVSHXALFLKQ-UHFFFAOYSA-N	p-Formyltoluene 4-methylbenzaldehyde
envipath:...445d6ef930f4 envipathM:...445d6ef930f4 FXLOVSHXALFLKQ-UHFFFAOYSA-N	p-Tolualdehyde
seed.compound:cpd04138 seedM:cpd04138 FXLOVSHXALFLKQ-UHFFFAOYSA-N	p-Tolualdehyde 4-Methylbenzaldehyde 4-Toluylaldehyde 4-methylbenzaldehyde 4-tolualdehyde 4mbzald p-4-methylbenzaldehyde p-Formyltoluene p-Methylbenzaldehyde p-tolualdehyde p-toluylaldehyde para-tolualdehyde
kegg.compound:C06758 keggC:C06758 FXLOVSHXALFLKQ-UHFFFAOYSA-N	p-Tolualdehyde 4-Methylbenzaldehyde 4-Toluylaldehyde p-Formyltoluene p-Methylbenzaldehyde
sabiork.compound:2920 sabiorkM:2920 FXLOVSHXALFLKQ-UHFFFAOYSA-N	p-Tolualdehyde 4-Toluylaldehyde p-Formyltoluene p-Methylbenzaldehyde
hmdb:HMDB29638 chebi:10632 chebi:25831 biggM:M_4mbzald keggC:M_C06758 seedM:M_cpd04138 vmhM:M_pftln	secondary/obsolete/fantasy identifier