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

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Cyclohexyl 3-methylbutanoate

	Properties	Image
MNX_ID	MNXM124082
reference	chebi:171833
formula	C₁₁H₂₀O₂
global charge	0
mol weight	184.279
InChIKey	SQPOKBBCNZIWFI-UHFFFAOYSA-N
InChI	InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
SMILES	CC(C)CC(=O)OC1CCCCC1

MNX internals

InChI (mnx)	InChI=1/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
SMILES (mnx)	[CH3:1][CH:9]([CH3:2])[CH2:8][C:11](=[O:12])[O:13][CH:10]1[CH2:6][CH2:4][CH2:3][CH2:5][CH2:7]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:171833 chebi:171833 SQPOKBBCNZIWFI-UHFFFAOYSA-N	Cyclohexyl 3-methylbutanoate cyclohexyl 3-methylbutanoate
hmdb:HMDB0034428 SQPOKBBCNZIWFI-UHFFFAOYSA-N	Cyclohexyl 3-methylbutanoate Butanoic acid, 3-methyl-, cyclohexyl ester Cyclohexyl 3-methylbutanoic acid Cyclohexyl isopentanoate Cyclohexyl isovalerate Cyclohexyl isovalerianate FEMA 2355 Isovaleric acid cyclohexyl ester Isovaleric acid, cyclohexyl ester Isovaleric acid, cyclohexyl ester (8ci) cyclohexyl 3-methylbutanoate
lipidmaps:LMFA07010823 lipidmapsM:LMFA07010823 SQPOKBBCNZIWFI-UHFFFAOYSA-N	Cyclohexyl 3-methylbutanoate WE 11:1 cyclohexyl 3-methylbutanoate
hmdb:HMDB34428	secondary/obsolete/fantasy identifier