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

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3Z-hexenyl 2R-hydroxy-3-methylbutyrate

	Properties	Image
MNX_ID	MNXM100571
reference	chebi:137816
formula	C₁₁H₂₀O₃
global charge	0
mol weight	200.278
InChIKey	DGPCWWZIQGEZER-WWQCOOJYSA-N
InChI	InChI=1S/C11H20O3/c1-4-5-6-7-8-14-11(13)10(12)9(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3/b6-5-/t10-/m1/s1
SMILES	CC/C=C\CCOC(=O)[C@H](O)C(C)C

MNX internals

InChI (mnx)	InChI=1/C11H20O3/c1-4-5-6-7-8-14-11(13)10(12)9(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3/b6-5-/t10-/m1/s1
SMILES (mnx)	[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7][CH2:8][O:14][C:11]([C@@H:10]([CH:9]([CH3:2])[CH3:3])[OH:12])=[O:13]

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:137816 chebi:137816 DGPCWWZIQGEZER-WWQCOOJYSA-N	3Z-hexenyl 2R-hydroxy-3-methylbutyrate WE(6:1(3Z)/4:0(2OH[R],3Me))
lipidmaps:LMFA07010641 lipidmapsM:LMFA07010641 DGPCWWZIQGEZER-WWQCOOJYSA-N	3Z-Hexenyl 2R-hydroxy-3-methylbutyrate 3Z-Hexenyl 2R-hydroxy-3-methylbutyrate O WE 11:1 WE(6:1(3Z)/4:0(2OH[R],3Me))