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CHEBI:1178 - (2S)-2-isopropylmalate(2−)

ChEBI IDCHEBI:1178
ChEBI Name(2S)-2-isopropylmalate(2−)
Stars
ASCII Name(2S)-2-isopropylmalate(2-)
DefinitionA 2-isopropylmalate(2−) with S-configuration at the chiral centre.
Last Modified15 February 2017
DownloadsMolfile
FormulaC7H10O5
Net Charge-2
Average Mass174.152
Monoisotopic Mass174.05392
SMILESCC(C)[C@@](O)(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/p-2/t7-/m0/s1
InChIKeyBITYXLXUCSKTJS-ZETCQYMHSA-L
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)
(2S)-2-isopropylmalate(2−) (CHEBI:1178) is a 2-hydroxydicarboxylate(2−) (CHEBI:167114)
(2S)-2-isopropylmalate(2−) (CHEBI:1178) is a 2-isopropylmalate(2−) (CHEBI:28107)
(2S)-2-isopropylmalate(2−) (CHEBI:1178) is conjugate base of (2S)-2-isopropylmalic acid (CHEBI:35128)
Incoming Relation(s)
(2S)-2-isopropylmalic acid (CHEBI:35128) is conjugate acid of (2S)-2-isopropylmalate(2−) (CHEBI:1178)
IUPAC Name 
(2S)-2-hydroxy-2-(propan-2-yl)butanedioate
Synonym  Source
(2S)-2-IsopropylmalateKEGG COMPOUND
UniProt Name  Source
(2S)-2-isopropylmalateUniProt
Manual XrefsDatabases
C02504KEGG COMPOUND
3-CARBOXY-3-HYDROXY-ISOCAPROATEMetaCyc