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

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4-methyl-3-oxopentanoate

	Properties	Image
MNX_ID	MNXM3851
reference	chebi:62222
formula	C₆H₉O₃
global charge	-1
mol weight	129.135
InChIKey	ZXLSKTZECNUVIS-UHFFFAOYSA-M
InChI	InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1
SMILES	CC(C)C(=O)CC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
SMILES (mnx)	[CH3:1][CH:4]([CH3:2])[C:5]([CH2:3][C:6](=[O:8])[OH:9])=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62222 chebi:62222 ZXLSKTZECNUVIS-UHFFFAOYSA-M	4-methyl-3-oxopentanoate beta-ketoisocaproate beta-oxo-4-methylcaproate
lipidmaps:LMFA01020276 lipidmapsM:LMFA01020276 ZXLSKTZECNUVIS-UHFFFAOYSA-N	3-oxo-4-methyl-pentanoic acid 3-oxo-4-methyl-pentanoic acid FA 6:1 O
metacyc.compound:CPD-7030 metacycM:CPD-7030 ZXLSKTZECNUVIS-UHFFFAOYSA-M	4-methyl-3-oxopentanoate 3-oxo-4-methylpentanoate beta-ketoisocaproate beta-oxo-4-methylcaproate
CHEBI:29024 chebi:29024 ZXLSKTZECNUVIS-UHFFFAOYSA-N	4-methyl-3-oxopentanoic acid 3-Oxo-4-methylpentanoate 3-Oxo-4-methylpentanoic acid beta-Ketoisocaproate beta-Ketoisocaproic acid beta-oxo-4-methylcaproic aicd beta-oxo-4-methylpentanoic aicd
seed.compound:cpd02192 seedM:cpd02192 ZXLSKTZECNUVIS-UHFFFAOYSA-M	beta-Ketoisocaproate (R)-4-Methyl-3-oxopentanoate 3-Oxo-4-methylpentanoate 3-Oxo-4-methylpentanoic acid 3-oxo-4-methylpentanoate 4-Methyl-3-oxopentanoic acid 4-methyl-3-oxopentanoate beta-Ketoisocaproic acid beta-ketoisocaproate beta-oxo-4-methylcaproate
kegg.compound:C03467 keggC:C03467 ZXLSKTZECNUVIS-UHFFFAOYSA-N	beta-Ketoisocaproate 3-Oxo-4-methylpentanoate 4-Methyl-3-oxopentanoic acid beta-Ketoisocaproic acid
envipath:...579a9ca731e1 envipathM:...579a9ca731e1 ZXLSKTZECNUVIS-UHFFFAOYSA-M	compound 0216466
chebi:1621 chebi:18673 keggC:M_C03467 seedM:M_cpd02192	secondary/obsolete/fantasy identifier