(2S)-2-isopropylmalate

(2<i>S</i>)-2-isopropylmalate




Chemical Formula:
C7H10O5
Molecular Weight:
174.153 Daltons
Monoisotopic Mass:
176.0684734957 Daltons
SMILES:
CC(C)C(O)(CC(=O)[O-])C([O-])=O
InChI:
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
InChIKey:
BITYXLXUCSKTJS-ZETCQYMHSA-L

Synonyms
  • 3-hydroxy-4-methyl-3-carboxypentanoate
  • 3-carboxy-3-hydroxy-4-methylpentanoate
  • 3-carboxy-3-hydroxy-isocaproate
  • α-isopropylmalate

Databases
MetaCyc:  3-CARBOXY-3-HYDROXY-ISOCAPROATE
RefMet:  2-isopropylmali 2-isopropylmalic acid
PubChem (CID):  6419727
ChEBI:  1178
BiGG:  3c3hmp
HMDB:  HMDB00402
ChemSpider:  4925359
KEGG:  C02504
Seed:  cpd01646
MetaNetX:  MNXM985