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

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isoprene

	Properties	Image
MNX_ID	MNXM3288
reference	chebi:35194
formula	C₅H₈
global charge	0
mol weight	68.119
InChIKey	RRHGJUQNOFWUDK-UHFFFAOYSA-N
InChI	InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
SMILES	C=CC(=C)C

MNX internals

InChI (mnx)	InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
SMILES (mnx)	[CH2:1]=[CH:4][C:5](=[CH2:2])[CH3:3]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35194 chebi:35194 RRHGJUQNOFWUDK-UHFFFAOYSA-N	isoprene 2-Methyl-1,3-butadiene 2-methyl-1,3-butadiene 2-methylbuta-1,3-diene 2-methylbutadiene 2-methyldivinyl CH2=C(CH3)CH=CH2 Isopren beta-methylbivinyl isopentadiene isopreno isoterpene
hmdb:HMDB0253673 RRHGJUQNOFWUDK-UHFFFAOYSA-N	ISOPRENE 2-Methyl-1,3-butadiene 2-Methylbutadiene 2-Methyldivinyl 2-methylbuta-1,3-diene CH2=C(CH3)CH=ch2 Isopentadiene Isopren Isopreno Isoterpene b-Methylbivinyl beta-Methylbivinyl beta-methylbivinyl isoprene
vmhM:ispre vmhmetabolite:ispre RRHGJUQNOFWUDK-UHFFFAOYSA-N	Isoprene
sabiork.compound:31777 sabiorkM:31777 kegg.compound:C16521 keggC:C16521 RRHGJUQNOFWUDK-UHFFFAOYSA-N	Isoprene 2-Methyl-1,3-butadiene
seed.compound:cpd16336 seedM:cpd16336 RRHGJUQNOFWUDK-UHFFFAOYSA-N	Isoprene 2-Methyl-1,3-butadiene 2-methyl-1,3-butadiene 2-methylbuta-1,3-diene isoprene
envipath:...cb50751bdc99 envipathM:...cb50751bdc99 RRHGJUQNOFWUDK-UHFFFAOYSA-N	compound 0282060
metacyc.compound:CPD-9436 metacycM:CPD-9436 RRHGJUQNOFWUDK-UHFFFAOYSA-N	isoprene 2-methyl-1,3-butadiene 2-methylbuta-1,3-diene
keggC:M_C16521 seedM:M_cpd16336 vmhM:M_ispre	secondary/obsolete/fantasy identifier