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

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4-methyl-2-oxopentanoate

	Properties	Image
MNX_ID	MNXM404
reference	chebi:17865
formula	C₆H₉O₃
global charge	-1
mol weight	129.135
InChIKey	BKAJNAXTPSGJCU-UHFFFAOYSA-M
InChI	InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1
SMILES	CC(C)CC(=O)C(=O)[O-]

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	53
in models (compartimentalized)	31

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-113598 reactomeM:R-ALL-113598 reactome:R-ALL-70701 reactomeM:R-ALL-70701 CHEBI:17865 chebi:17865 BKAJNAXTPSGJCU-UHFFFAOYSA-M	4-methyl-2-oxopentanoate 2-Oxoisocaproate alpha-ketoisocaproate
bigg.metabolite:4mop biggM:4mop BKAJNAXTPSGJCU-UHFFFAOYSA-M	4-Methyl-2-oxopentanoate
sabiork.compound:1985 sabiorkM:1985 BKAJNAXTPSGJCU-UHFFFAOYSA-N	4-Methyl-2-oxopentanoate 2-Ketoisocaproate 2-Oxoisocaproate alpha-Ketoisocaproate alpha-Oxoisocaproate
kegg.compound:C00233 keggC:C00233 BKAJNAXTPSGJCU-UHFFFAOYSA-N	4-Methyl-2-oxopentanoate 2-Oxoisocaproate alpha-Ketoisocaproate
metacyc.compound:2K-4CH3-PENTANOATE metacycM:2K-4CH3-PENTANOATE BKAJNAXTPSGJCU-UHFFFAOYSA-M	4-methyl-2-oxopentanoate 2-keto-4-methyl-pentanoate 2-ketoisocaproate 2-ketoisocaproic acid 2-oxo-4-methylpentanoate 2-oxoisocaproate 4-methyl-2-oxopentanoic acid alpha-ketoisocaproate alpha-oxoisocaproate ketoleucine
vmhM:4mop vmhmetabolite:4mop BKAJNAXTPSGJCU-UHFFFAOYSA-M	4-methyl-2-oxopentanoate 4-methyl-2-oxopentanoic acid
CHEBI:48430 chebi:48430 BKAJNAXTPSGJCU-UHFFFAOYSA-N	4-methyl-2-oxopentanoic acid 2-OXO-4-METHYLPENTANOIC ACID 2-Oxoisocaproate 4-Methyl-2-oxopentanoate 4-methyl-2-oxovaleric acid Ketoleucine alpha-ketoisocaproic acid
seed.compound:cpd00200 seedM:cpd00200 BKAJNAXTPSGJCU-UHFFFAOYSA-M	4MOP 2-Oxoisocaproate 2-keto-4-methyl-pentanoate 2-ketoisocaproate 2-ketoisocaproic acid 2-oxo-4-methylpentanoate 2-oxoisocaproate 4-Methyl-2-oxopentanoate 4-methyl-2-oxopentanoate 4-methyl-2-oxopentanoic acid 4mop alpha-ketoisocaproate alpha-oxoisocaproate ketoleucine
hmdb:HMDB0000695 BKAJNAXTPSGJCU-UHFFFAOYSA-N	Ketoleucine 2-Keto-4-methylvalerate 2-Keto-4-methylvaleric acid 2-Ketoisocaproate 2-Ketoisocaproic acid 2-Oxoisocaproate 2-Oxoisocaproic acid 2-Oxoleucine 2-oxo-4-METHYLPENTANOIC ACID 2-oxo-4-METHYLPENTANOate 2-oxo-4-Methylvalerate 2-oxo-4-Methylvaleric acid 4-Methyl-2-oxo-valerate 4-Methyl-2-oxo-valeric acid 4-Methyl-2-oxopentanoate 4-Methyl-2-oxopentanoic acid 4-Methyl-2-oxovalerate 4-Methyl-2-oxovaleric acid 4-methyl-2-oxopentanoic acid Keto-leucine Ketoisocaproate Ketoisocaproic acid Methyloxovalerate Methyloxovaleric acid Oxoisocaproate Oxoisocaproic acid a-Ketoisocaproate a-Ketoisocaproic acid a-Ketoisocapronate a-Ketoisocapronic acid a-Oxoisocaproate a-Oxoisocaproic acid alpha-Keto-isocaproate alpha-Keto-isocaproic acid alpha-Ketoisocaproate alpha-Ketoisocaproic acid alpha-Ketoisocapronate alpha-Ketoisocapronic acid alpha-Oxoisocaproate alpha-Oxoisocaproic acid alpha-ketoisocaproate alpha-ketoisocaproic acid ketoisocaproate
envipath:...4f31bc650c70 envipathM:...4f31bc650c70 BKAJNAXTPSGJCU-UHFFFAOYSA-M	compound 0061014
hmdb:HMDB0000762 hmdb:HMDB00695 hmdb:HMDB00762 chebi:12020 chebi:1891 chebi:20438 chebi:41619 biggM:M_4mop keggC:M_C00233 seedM:M_cpd00200 vmhM:M_4mop	secondary/obsolete/fantasy identifier