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

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p-xylene

	Properties	Image
MNX_ID	MNXM3685
reference	chebi:27417
formula	C₈H₁₀
global charge	0
mol weight	106.168
InChIKey	URLKBWYHVLBVBO-UHFFFAOYSA-N
InChI	InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
SMILES	CC1=CC=C(C)C=C1

MNX internals

InChI (mnx)	InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:4][CH:6]=[C:8]([CH3:2])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27417 chebi:27417 URLKBWYHVLBVBO-UHFFFAOYSA-N	p-xylene 1,4-Dimethylbenzene 1,4-Dimethylbenzol 1,4-xylene 4-methyltoluene 4-xylene PARA-XYLENE p-Methyltoluene p-Xylene p-Xylol p-dimethylbenzene para-xylene
metacyc.compound:CPD-1422 metacycM:CPD-1422 URLKBWYHVLBVBO-UHFFFAOYSA-N	1,4-dimethylbenzene p-xylene para-xylene
bigg.metabolite:p_xyl biggM:p_xyl	P-methyltoluene
envipath:...41a053ddc75b envipathM:...41a053ddc75b URLKBWYHVLBVBO-UHFFFAOYSA-N	p-Xylene
hmdb:HMDB0059924 URLKBWYHVLBVBO-UHFFFAOYSA-N	p-Xylene 1,4-Dimethylbenzene 1,4-Dimethylbenzol 1,4-Xylene 1,4-xylene 4-Methyltoluene 4-Xylene PARA-xylene Paraxylene p-Dimethylbenzene p-Methyltoluene p-Xylol para-xylene
seed.compound:cpd04136 seedM:cpd04136 URLKBWYHVLBVBO-UHFFFAOYSA-N	p-Xylene 1,4-Dimethylbenzene 1,4-dimethylbenzene p-Methyltoluene p-xyl p-xylene para-xylene
kegg.compound:C06756 keggC:C06756 URLKBWYHVLBVBO-UHFFFAOYSA-N	p-Xylene 1,4-Dimethylbenzene p-Methyltoluene
hmdb:HMDB59924 chebi:10633 chebi:25832 chebi:45248 biggM:M_p_xyl keggC:M_C06756 seedM:M_cpd04136	secondary/obsolete/fantasy identifier