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(R)-3,3-dimethylmalate

PropertiesImage
MNX_IDMNXM2051 Image of MNXM2051
referencechebi:57424
formulaC6H8O5
global charge-2
mol weight160.125
InChIKeyKSAIICDEQGEQBK-VKHMYHEASA-L
InChIInChI=1S/C6H10O5/c1-6(2,5(10)11)3(7)4(8)9/h3,7H,1-2H3,(H,8,9)(H,10,11)/p-2/t3-/m0/s1
SMILESCC(C)(C(=O)[O-])[C@@H](O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H10O5/c1-6(2,5(10)11)3(7)4(8)9/h3,7H,1-2H3,(H,8,9)(H,10,11)/t3-/m0/s1 Image of MNXM2051
SMILES (mnx)[CH3:1][C:6]([CH3:2])([C@H:3]([C:4](=[O:8])[OH:9])[OH:7])[C:5](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57424
chebi:57424
KSAIICDEQGEQBK-VKHMYHEASA-L 		(R)-3,3-dimethylmalate
(3R)-3-hydroxy-2,2-dimethylbutanedioate
(R)-3,3-dimethylmalate(2-)
(R)-3-hydroxy-2,2-dimethylsuccinate

kegg.compound:C01088
keggC:C01088
KSAIICDEQGEQBK-VKHMYHEASA-N 		(R)-3,3-Dimethylmalate

seed.compound:cpd00796
seedM:cpd00796
KSAIICDEQGEQBK-VKHMYHEASA-L 		(R)-3,3-Dimethylmalate
(R)-3,3-dimethylmalate

metacyc.compound:CPD-1088
metacycM:CPD-1088
KSAIICDEQGEQBK-VKHMYHEASA-L 		(R)-3,3-dimethylmalate

CHEBI:15587
chebi:15587
KSAIICDEQGEQBK-VKHMYHEASA-N 		(R)-3,3-dimethylmalic acid
(3R)-3-hydroxy-2,2-dimethylbutanedioic acid
(R)-3,3-Dimethylmalate
(R)-3,3-dimethylmalate

chebi:10978
chebi:18658
chebi:317
keggC:M_C01088
seedM:M_cpd00796 		secondary/obsolete/fantasy identifier