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

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4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone

	Properties	Image
MNX_ID	MNXM117913
reference	chebi:195835
formula	C₇H₁₀O₂
global charge	0
mol weight	126.155
InChIKey	QESPSAHXYXIGBG-UHFFFAOYSA-N
InChI	InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3
SMILES	C=CC1(C)CCC(=O)O1

MNX internals

InChI (mnx)	InChI=1/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7?
SMILES (mnx)	[CH2:1]=[CH:3][C:7]1([CH3:2])[CH2:5][CH2:4][C:6](=[O:8])[O:9]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:195835 chebi:195835 QESPSAHXYXIGBG-UHFFFAOYSA-N	4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone 5-ethenyl-5-methyloxolan-2-one
hmdb:HMDB0032333 QESPSAHXYXIGBG-UHFFFAOYSA-N	4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone 4-Hydroxy-4-methyl-5-hexenoate g lactone 4-Hydroxy-4-methyl-5-hexenoate gamma lactone 4-Hydroxy-4-methyl-5-hexenoic acid g lactone 4-Methyl-4-vinyl-1,4-butanolide 4-Methyl-4-vinylbutyrolactone 4-Methyl-5-hexen-4-olide 5-Ethenyl-5-methyl-2(3H)-furanone 5-Ethenyl-5-methyloxolan-2-one 5-Ethenyldihydro-5-methyl-2(3H)-furanone 5-Methyl-5-vinyldihydro-2(3H)-furanone 5-ethenyl-5-methyloxolan-2-one Dihydro-5-methyl-5-vinyl-2(3H)-furanone Dihydro-5-methyl-5-vinylfuran-2(3H)-one Laquo gammaraquo -vinyl-laquo gammaraquo -valerolactone Lavander lactone Lavender lactone
hmdb:HMDB32333	secondary/obsolete/fantasy identifier