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

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(2R,3R)-2,3-dihydroxy-3-methylpentanoate

	Properties	Image
MNX_ID	MNXM1202
reference	chebi:49258
formula	C₆H₁₁O₄
global charge	-1
mol weight	147.15
InChIKey	PDGXJDXVGMHUIR-UJURSFKZSA-M
InChI	InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/p-1/t4-,6+/m0/s1
SMILES	CC[C@@](C)(O)[C@@H](O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][C@:6]([CH3:2])([C@H:4]([C:5](=[O:8])[OH:9])[OH:7])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49258 chebi:49258 PDGXJDXVGMHUIR-UJURSFKZSA-M	(2R,3R)-2,3-dihydroxy-3-methylpentanoate (2R,3R)-2,3-Dihydroxy-3-methylpentanoate (2R,3R)-2,3-dihydroxy-3-methylvalerate (R)-2,3-Dihydroxy-3-methylpentanoate (R)-2,3-Dihydroxy-3-methylvalerate 4,5-dideoxy-3-C-methyl-D-erythro-pentonate
CHEBI:27512 chebi:27512 PDGXJDXVGMHUIR-UJURSFKZSA-N	(2R,3R)-2,3-dihydroxy-3-methylpentanoic acid (2R,3R)-2,3-dihydroxy-3-methylvaleric acid 4,5-dideoxy-3-C-methyl-D-erythro-pentonic acid
lipidmaps:LMFA01050452 lipidmapsM:LMFA01050452 PDGXJDXVGMHUIR-UJURSFKZSA-N	(R) 2,3-Dihydroxy-3-methylvalerate (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid FA 6:0 O2
bigg.metabolite:23dhmp biggM:23dhmp PDGXJDXVGMHUIR-UHFFFAOYSA-M	(R)-2,3-Dihydroxy-3-methylpentanoate
kegg.compound:C06007 keggC:C06007 PDGXJDXVGMHUIR-UJURSFKZSA-N	(R)-2,3-Dihydroxy-3-methylpentanoate (2R,3R)-2,3-Dihydroxy-3-methylpentanoate (2R,3R)-2,3-Dihydroxy-3-methylpentanoic acid (R)-2,3-Dihydroxy-3-methylvalerate
seed.compound:cpd19046 seedM:cpd19046 PDGXJDXVGMHUIR-UJURSFKZSA-M	(R)-2,3-Dihydroxy-3-methylpentanoate (2R,3R)-2,3-Dihydroxy-3-methylpentanoate (R)-2,3-Dihydroxy-3-methylvalerate (R)-2,3-dihydroxy-3-methylpentanoate (R)-2,3-dihydroxy-3-methylvalerate 2,3-Dihydroxy-3-methylpentanoate 2,3-Dihydroxy-3-methylvalerate 2,3-dihydroxy-3-methylpentanoate 2,3-dihydroxy-3-methylvalerate R-2-3-Dihydroxy-3-methylpentanoate
vmhM:23dhmp vmhmetabolite:23dhmp PDGXJDXVGMHUIR-UJURSFKZSA-M	(R)-2,3-Dihydroxy-3-methylpentanoate (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid
hmdb:HMDB0012140 PDGXJDXVGMHUIR-UJURSFKZSA-N	(R)-2,3-Dihydroxy-3-methylvalerate (2R,3R)-2,3-Dihydroxy-3-methylpentanoate (2R,3R)-2,3-Dihydroxy-3-methylpentanoic acid (2R,3R)-2,3-Dihydroxy-3-methylvalerate (2R,3R)-2,3-Dihydroxy-3-methylvaleric acid (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid (R) 2,3-Dihydroxy-3-methylvaleric acid (R)-2,3-Dihydroxy-3-methylpentanoate (R)-2,3-Dihydroxy-3-methylpentanoic acid (R)-2,3-Dihydroxy-3-methylvaleric acid 1-keto-2-Methylvalerate 2,3-Dihydroxy-3-methyl-valeric acid 2,3-Dihydroxy-3-methylpentanoate 2,3-Dihydroxy-3-methylpentanoic acid 2,3-Dihydroxy-valerianic acid 4,5-Dideoxy-3-C-methyl-pentonic acid CID8 DMV alpha,beta-Dihydroxy-beta-methylvaleric acid
metacyc.compound:1-KETO-2-METHYLVALERATE metacycM:1-KETO-2-METHYLVALERATE PDGXJDXVGMHUIR-UJURSFKZSA-M	(R)-2,3-dihydroxy-3-methylpentanoate (R)-2,3-dihydroxy-3-methylvalerate
CHEBI:882 chebi:882 kegg.compound:C04104 keggC:C04104 PDGXJDXVGMHUIR-UHFFFAOYSA-N	2,3-Dihydroxy-3-methylpentanoate 2,3-Dihydroxy-3-methylvalerate
lipidmaps:LMFA01050469 lipidmapsM:LMFA01050469 PDGXJDXVGMHUIR-UHFFFAOYSA-N	2,3-Dihydroxy-3-methylpentanoic acid 2,3-dihydroxy-3-methyl-pentanoic acid 2,3-dihydroxy-3-methylpentanoate 2,3-dihydroxy-3-methylvalerate 4,5-dideoxy-3-c-methylpentonic acid FA 6:0 O2 pentonic acid, 4,5-dideoxy-3-C-methyl-
seed.compound:cpd02535 seedM:cpd02535 PDGXJDXVGMHUIR-UJURSFKZSA-M	2,3-Dihydroxy-3-methylvalerate (2R,3R)-2,3-Dihydroxy-3-methylpentanoate (R)-2,3-Dihydroxy-3-methylpentanoate (R)-2,3-Dihydroxy-3-methylvalerate (R)-2,3-dihydroxy-3-methylpentanoate (R)-2,3-dihydroxy-3-methylvalerate 2,3-Dihydroxy-3-methylpentanoate 2,3-dihydroxy-3-methylpentanoate 2,3-dihydroxy-3-methylvalerate 23dhmp R-2-3-Dihydroxy-3-methylpentanoate
hmdb:HMDB0304038 PDGXJDXVGMHUIR-UHFFFAOYSA-N	2,3-dihydroxy-3-methylvalerate 2,3-Dihydroxy-3-methylvaleric acid 2,3-dihydroxy-3-methylpentanoic acid
hmdb:HMDB12140 chebi:18646 chebi:306 biggM:M_23dhmp keggC:M_C04104 keggC:M_C06007 seedM:M_cpd02535 seedM:M_cpd19046 vmhM:M_23dhmp	secondary/obsolete/fantasy identifier