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

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gamma-valerolactone

	Properties	Image
MNX_ID	MNXM733968
reference	chebi:48569
formula	C₅H₈O₂
global charge	0
mol weight	100.117
InChIKey	GAEKPEKOJKCEMS-UHFFFAOYSA-N
InChI	InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
SMILES	CC1CCC(=O)O1

MNX internals

InChI (mnx)	InChI=1/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4?
SMILES (mnx)	[CH3:1][CH:4]1[CH2:2][CH2:3][C:5](=[O:6])[O:7]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:48569 chebi:48569 GAEKPEKOJKCEMS-UHFFFAOYSA-N	gamma-valerolactone 4-Hydroxypentanoic acid lactone 4-Hydroxyvaleric acid lactone 4-Methyl-4-hydroxybutanoic acid lactone 4-Methyl-gamma-butyrolactone 4-Pentanolide 4-Valerolactone 5-methyldihydrofuran-2(3H)-one dihydro-5-methyl-2(3H)-furanone gamma-Pentalactone gamma-Pentanolactone
sabiork.compound:6084 sabiorkM:6084 GAEKPEKOJKCEMS-UHFFFAOYSA-N	5-Valerolactone delta-Valerolactone gamma-Valerolactone
hmdb:HMDB0033840 GAEKPEKOJKCEMS-UHFFFAOYSA-N	Dihydro-5-methyl-2(3H)-furanone 4-Hydroxypentanoate lactone 4-Hydroxypentanoic acid lactone 4-Hydroxyvalerate lactone 4-Hydroxyvaleric acid lactone 4-Methyl-4-hydroxybutanoate lactone 4-Methyl-4-hydroxybutanoic acid lactone 4-Methyl-g-butyrolactone 4-Methyl-gamma-butyrolactone 4-Pentanolide 4-Valerolactone 5-methyloxolan-2-one g-Pentalactone g-Pentanolactone g-Valerolactone gamma-Pentalactone gamma-Pentanolactone gamma-pentalactone gamma-pentanolactone gamma-valerolactone
metacyc.compound:CPD-22308 metacycM:CPD-22308 GAEKPEKOJKCEMS-UHFFFAOYSA-N	gamma-valerolactone 4-hydroxypentanoic acid lactone 4-hydroxyvaleric acid lactone 4-methyl-gamma-butyrolactone 4-pentanolide 4-valerolactone 5-methyldihydrofuran-2(3H)-one
lipidmaps:LMFA07040008 lipidmapsM:LMFA07040008 GAEKPEKOJKCEMS-UHFFFAOYSA-N	gamma-valerolactone Dihydro-5-methylfuran-2(3H)-one FA 5:1
hmdb:HMDB33840	secondary/obsolete/fantasy identifier