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CHEBI:35121 - (2R,3S)-3-isopropylmalate(2−)

ChEBI IDCHEBI:35121
ChEBI Name(2R,3S)-3-isopropylmalate(2−)
Stars
ASCII Name(2R,3S)-3-isopropylmalate(2-)
Secondary ChEBI IDsCHEBI:1565, CHEBI:35120
Last Modified29 September 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H10O5
Net Charge-2
Average Mass174.152
Monoisotopic Mass174.05392
SMILESCC(C)[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]
InChIInChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/p-2/t4-,5+/m0/s1
InChIKeyRNQHMTFBUSSBJQ-CRCLSJGQSA-L
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-3-isopropylmalate(2−) (CHEBI:35121) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(2R,3S)-3-isopropylmalate(2−) (CHEBI:35121) is a 2-hydroxydicarboxylate(2−) (CHEBI:167114)
(2R,3S)-3-isopropylmalate(2−) (CHEBI:35121) is a 3-isopropylmalate(2−) (CHEBI:15592)
(2R,3S)-3-isopropylmalate(2−) (CHEBI:35121) is conjugate base of (2R,3S)-3-isopropylmalic acid (CHEBI:43468)
Incoming Relation(s)
(2R,3S)-3-isopropylmalic acid (CHEBI:43468) is conjugate acid of (2R,3S)-3-isopropylmalate(2−) (CHEBI:35121)
IUPAC Name 
(2R,3S)-2-hydroxy-3-(propan-2-yl)butanedioate
Synonyms  Source
2-D-threo-Hydroxy-3-carboxy-isocaproateKEGG COMPOUND
(2R,3S)-3-IsopropylmalateKEGG COMPOUND
(2R,3S)-2-hydroxy-3-isopropylsuccinateChEBI
UniProt Name  Source
(2R,3S)-3-isopropylmalateUniProt
Manual XrefsDatabases
C04411KEGG COMPOUND