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

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ethyl (R)-3-hydroxyhexanoate

	Properties	Image
MNX_ID	MNXM4583
reference	chebi:16641
formula	C₈H₁₆O₃
global charge	0
mol weight	160.213
InChIKey	LYRIITRHDCNUHV-SSDOTTSWSA-N
InChI	InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m1/s1
SMILES	CCC[C@@H](O)CC(=O)OCC

MNX internals

InChI (mnx)	InChI=1/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m1/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][C@H:7]([CH2:6][C:8](=[O:10])[O:11][CH2:4][CH3:2])[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16641 chebi:16641 LYRIITRHDCNUHV-SSDOTTSWSA-N	ethyl (R)-3-hydroxyhexanoate Ethyl (R)-3-hydroxyhexanoate ethyl (3R)-3-hydroxyhexanoate
kegg.compound:C03864 keggC:C03864 LYRIITRHDCNUHV-SSDOTTSWSA-N	Ethyl (R)-3-hydroxyhexanoate
seed.compound:cpd02410 seedM:cpd02410 LYRIITRHDCNUHV-SSDOTTSWSA-N	Ethyl (R)-3-hydroxyhexanoate 3-hydroxyhexanoic acid ethyl ester ethyl (R)-3-hydroxyhexanoate
metacyc.compound:ETHYL-R-3-HYDROXYHEXANOATE metacycM:ETHYL-R-3-HYDROXYHEXANOATE LYRIITRHDCNUHV-SSDOTTSWSA-N	ethyl (R)-3-hydroxyhexanoate (R)-3-hydroxyhexanoic acid ethyl ester
chebi:14225 chebi:23986 chebi:4890 keggC:M_C03864 seedM:M_cpd02410	secondary/obsolete/fantasy identifier