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

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(S)-3-methyl-2-oxopentanoate

	Properties	Image
MNX_ID	MNXM1363845
reference	chebi:35146
formula	C₆H₉O₃
global charge	-1
mol weight	129.135
InChIKey	JVQYSWDUAOAHFM-BYPYZUCNSA-M
InChI	InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1/t4-/m0/s1
SMILES	CC[C@H](C)C(=O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][C@H:4]([CH3:2])[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)	29
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35146 chebi:35146 JVQYSWDUAOAHFM-BYPYZUCNSA-M	(S)-3-methyl-2-oxopentanoate (3S)-3-Methyl-2-oxopentanoate (3S)-3-methyl-2-oxopentanoate (S)-3-methyl-2-oxovalerate
metacyc.compound:2-KETO-3-METHYL-VALERATE metacycM:2-KETO-3-METHYL-VALERATE JVQYSWDUAOAHFM-BYPYZUCNSA-M	(3S)-3-methyl-2-oxopentanoate (S)-2-oxo-3-methylpentanoate (S)-3-methyl-2-oxopentanoate (S)-3-methyl-2-oxovalerate 2-keto-3-methyl-valerate 2-keto-isoleucine 2-oxo-3-methylpentanoate 2-oxo-3-methylvalerate 3-methyl-2-oxopentanoate alpha-keto-beta-methyl-valerate alpha-keto-methylvalerate
sabiork.compound:5174 sabiorkM:5174 JVQYSWDUAOAHFM-BYPYZUCNSA-N	(S)-3-Methyl-2-oxopentanoate (3S)-3-Methyl-2-oxopentanoate (3S)-3-Methyl-2-oxopentanoic acid
kegg.compound:C00671 keggC:C00671 JVQYSWDUAOAHFM-BYPYZUCNSA-N	(S)-3-Methyl-2-oxopentanoic acid (3S)-3-Methyl-2-oxopentanoate (3S)-3-Methyl-2-oxopentanoic acid (S)-3-Methyl-2-oxopentanoate
CHEBI:15614 chebi:15614 JVQYSWDUAOAHFM-BYPYZUCNSA-N	(S)-3-methyl-2-oxovaleric acid (3S)-2-oxo-3-methyl-n-valeric acid (3S)-3-Methyl-2-oxopentanoic acid (3S)-3-methyl-2-oxopentanoic acid (S)-2-oxo-3-methylpentanoic acid (S)-3-Methyl-2-oxopentanoate (S)-3-Methyl-2-oxopentanoic acid (S)-OMV
hmdb:HMDB0000491 JVQYSWDUAOAHFM-BYPYZUCNSA-N	3-Methyl-2-oxovaleric acid (3S)-2-oxo-3-Methyl-N-valerate (3S)-2-oxo-3-Methyl-N-valeric acid (3S)-3-Methyl-2-oxopentanoate (3S)-3-Methyl-2-oxopentanoic acid (3S)-3-methyl-2-oxopentanoic acid (S)-2-oxo-3-Methylpentanoate (S)-2-oxo-3-Methylpentanoic acid (S)-3-Methyl-2-oxopentanoate (S)-3-Methyl-2-oxopentanoic acid (S)-OMV (S)-omv 2-Oxo-3-methyl-n-valeric acid 2-Oxo-3-methylpentanoic acid 2-Oxo-3-methylvaleric acid 2-Oxoisoleucine 3-Methyl-2-ketovaleric acid 3-Methyl-2-oxopentanoic acid 3S-Methyl-2-oxo-pentanoate L-2-Keto-3-Methylvalerate L-2-keto-3-Methylvaleric acid L-alpha-keto-beta-Methylvaleric acid alpha-Oxo-beta-methyl-n-valeric acid alpha-Oxo-beta-methylvaleric acid alpha-keto-beta-Methyl-n-valeric acid alpha-keto-beta-Methylvaleric acid
vmhM:3mop vmhmetabolite:3mop JVQYSWDUAOAHFM-BYPYZUCNSA-M	3-methyl-2-oxopentanoate (3S)-3-methyl-2-oxopentanoic acid
seed.compound:cpd00508 seedM:cpd00508 JVQYSWDUAOAHFM-BYPYZUCNSA-M	3MOP (3S)-3-Methyl-2-oxopentanoate (3S)-3-Methyl-2-oxopentanoic acid (3S)-3-methyl-2-oxopentanoate (S)-2-oxo-3-methylpentanoate (S)-3-Methyl-2-oxopentanoate (S)-3-Methyl-2-oxopentanoic acid (S)-3-methyl-2-oxopentanoate (S)-3-methyl-2-oxovalerate 2-keto-3-methyl-valerate 2-keto-3-methylvalerate 2-keto-isoleucine 2-oxo-3-methylpentanoate 2-oxo-3-methylvalerate 3-methyl-2-oxopentanoate 3mop S-3-Methyl-2-oxopentanoate alpha-keto-beta-methyl-valerate alpha-keto-methylvalerate
lipidmaps:LMFA01020275 lipidmapsM:LMFA01020275 JVQYSWDUAOAHFM-BYPYZUCNSA-N	3S-methyl-2-oxo-pentanoic acid 3S-methyl-2-oxo-pentanoic acid FA 6:1 O
hmdb:HMDB0001962 hmdb:HMDB0002254 hmdb:HMDB0003736 hmdb:HMDB0004750 hmdb:HMDB00491 hmdb:HMDB01962 hmdb:HMDB02254 hmdb:HMDB03736 hmdb:HMDB04750 chebi:10888 chebi:11049 chebi:18567 chebi:18568 chebi:18755 chebi:213 chebi:401 keggC:M_C00671 seedM:M_cpd00508 vmhM:M_3mop	secondary/obsolete/fantasy identifier