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

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3-hydroxy-3-methyl-2-oxopentanoic acid

	Properties	Image
MNX_ID	MNXM1105130
reference	chebi:28710
formula	C₆H₁₀O₄
global charge	0
mol weight	146.142
InChIKey	YJVOWRAWFXRESP-UHFFFAOYSA-N
InChI	InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)
SMILES	CCC(C)(O)C(=O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6?
SMILES (mnx)	[CH3:1][CH2:3][C:6]([CH3:2])([C:4]([C:5]([OH:8])=[O:9])=[O:7])[OH:10]

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:28710 chebi:28710 YJVOWRAWFXRESP-UHFFFAOYSA-N	3-hydroxy-3-methyl-2-oxopentanoic acid 3-Hydroxy-3-methyl-2-oxopentanoate 3-Hydroxy-3-methyl-2-oxopentanoic acid
seed.compound:cpd02606 seedM:cpd02606 YJVOWRAWFXRESP-UHFFFAOYSA-M	3-Hydroxy-3-methyl-2-oxopentanoate 2-keto-3-hydroxy-3-methylvalerate 3-Hydroxy-3-methyl-2-oxopentanoic acid alpha-keto-beta-hydroxy-beta-methylvalerate
kegg.compound:C04237 keggC:C04237 YJVOWRAWFXRESP-UHFFFAOYSA-N	3-Hydroxy-3-methyl-2-oxopentanoic acid 3-Hydroxy-3-methyl-2-oxopentanoate
lipidmaps:LMFA01020278 lipidmapsM:LMFA01020278 YJVOWRAWFXRESP-UHFFFAOYSA-N	3-hydroxy-3-methyl-2-oxo-pentanoic acid 3-hydroxy-3-methyl-2-oxo-pentanoic acid FA 6:1 O2
metacyc.compound:CPD-12013 metacycM:CPD-12013 YJVOWRAWFXRESP-UHFFFAOYSA-M	3-hydroxy-3-methyl-2-oxopentanoate 2-keto-3-hydroxy-3-methylvalerate alpha-keto-beta-hydroxy-beta-methylvalerate
CHEBI:53338 chebi:53338 YJVOWRAWFXRESP-UHFFFAOYSA-M	3-hydroxy-3-methyl-2-oxopentanoate 3-hydroxy-3-methyl-2-oxovalerate
chebi:1523 chebi:20041 keggC:M_C04237 seedM:M_cpd02606	secondary/obsolete/fantasy identifier