(2R,3S)-2-methylisocitrate

(2<i>R</i>,3<i>S</i>)-2-methylisocitrate




Chemical Formula:
C7H7O7
Molecular Weight:
203.128 Daltons
Monoisotopic Mass:
206.0426526757 Daltons
SMILES:
CC(C(CC([O-])=O)C([O-])=O)(C([O-])=O)O
InChI:
1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/t3-,7-/m1/s1
InChIKey:
HHKPKXCSHMJWCF-WVBDSBKLSA-K

Synonyms
  • (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate
  • methylisocitric acid
  • methylisocitrate
  • threo-Ds-2-methylisocitrate

Databases
MetaCyc:  CPD-618
BiGG:  micit
MetaboLights:  MTBLC57429
HMDB:  HMDB06471
ChemSpider:  19951272
ChEBI:  57429
PubChem (CID):  23615311
KEGG:  C04593
Seed:  cpd02799
MetaNetX:  MNXM1694