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

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(R)-3-hydroxy-3-methyl-2-oxopentanoate

MNXM114594 is deprecated and here replaced by MNXM1091755
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1091755
reference	chebi:49257
formula	C₆H₉O₄
global charge	-1
mol weight	145.134
InChIKey	YJVOWRAWFXRESP-ZCFIWIBFSA-M
InChI	InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1
SMILES	CC[C@@](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-/m1/s1
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)	2
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49257 chebi:49257 YJVOWRAWFXRESP-ZCFIWIBFSA-M	(R)-3-hydroxy-3-methyl-2-oxopentanoate (3R)-3-hydroxy-3-methyl-2-oxopentanoate (R)-3-Hydroxy-3-methyl-2-oxopentanoate (R)-3-hydroxy-3-methyl-2-oxovalerate
bigg.metabolite:3h3mop biggM:3h3mop vmhM:3h3mop vmhmetabolite:3h3mop YJVOWRAWFXRESP-ZCFIWIBFSA-M	(R)-3-Hydroxy-3-methyl-2-oxopentanoate
kegg.compound:C14463 keggC:C14463 YJVOWRAWFXRESP-ZCFIWIBFSA-N	(R)-3-Hydroxy-3-methyl-2-oxopentanoate (R)-3-Hydroxy-3-methyl-2-oxopentanoic acid
seed.compound:cpd10162 seedM:cpd10162 YJVOWRAWFXRESP-ZCFIWIBFSA-M	(R)-3-Hydroxy-3-methyl-2-oxopentanoate (R)-3-hydroxy-3-methyl-2-oxopentanoate
metacyc.compound:CPD-15104 metacycM:CPD-15104 YJVOWRAWFXRESP-ZCFIWIBFSA-M	(R)-3-hydroxy-3-methyl-2-oxopentanoate
CHEBI:34008 chebi:34008 YJVOWRAWFXRESP-ZCFIWIBFSA-N	(R)-3-hydroxy-3-methyl-2-oxopentanoic acid (3R)-3-hydroxy-3-methyl-2-oxopentanoic acid (R)-3-hydroxy-3-methyl-2-oxovaleric acid
lipidmaps:LMFA01050457 lipidmapsM:LMFA01050457 YJVOWRAWFXRESP-ZCFIWIBFSA-N	(R)-3-hydroxy-3-methyl-2-oxopentanoic acid (3R)-3-hydroxy-3-methyl-2-oxopentanoic acid (R)-3-hydroxy-3-methyl-2-oxovaleric acid FA 6:1 O2
biggM:M_3h3mop keggC:M_C14463 seedM:M_cpd10162 vmhM:M_3h3mop	secondary/obsolete/fantasy identifier