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

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

	Properties	Image
MNX_ID	MNXM31735
reference	chebi:27765
formula	C₆H₉O₄
global charge	-1
mol weight	145.134
InChIKey	YJVOWRAWFXRESP-LURJTMIESA-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-/m0/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-/m0/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)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27765 chebi:27765 YJVOWRAWFXRESP-LURJTMIESA-M	(S)-3-hydroxy-3-methyl-2-oxopentanoate (3S)-3-hydroxy-3-methyl-2-oxopentanoate (S)-3-Hydroxy-3-methyl-2-oxopentanoate (S)-3-hydroxy-3-methyl-2-oxovalerate
seed.compound:cpd12805 seedM:cpd12805	(S)-3-Hydroxy-3-methyl-2-oxopentanoate
CHEBI:53335 chebi:53335 YJVOWRAWFXRESP-LURJTMIESA-N	(S)-3-hydroxy-3-methyl-2-oxopentanoic acid (3S)-3-hydroxy-3-methyl-2-oxopentanoic acid (S)-3-hydroxy-3-methyl-2-oxovaleric acid
lipidmaps:LMFA01050462 lipidmapsM:LMFA01050462 YJVOWRAWFXRESP-LURJTMIESA-N	(S)-3-hydroxy-3-methyl-2-oxopentanoic acid (3S)-3-hydroxy-3-methyl-2-oxopentanoic acid (S)-3-hydroxy-3-methyl-2-oxovaleric acid FA 6:1 O2
chebi:18736 chebi:379 seedM:M_cpd12805	secondary/obsolete/fantasy identifier