(1R,2S)-homoisocitrate

(1<i>R</i>,2<i>S</i>)-homoisocitrate




Chemical Formula:
C7H7O7
Molecular Weight:
203.128 Daltons
Monoisotopic Mass:
206.0426526757 Daltons
SMILES:
C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]
InChI:
1S/C7H10O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3,5,10H,1-2H2,(H,8,9)(H,11,12)(H,13,14)/p-3/t3-,5+/m0/s1
InChIKey:
OEJZZCGRGVFWHK-WVZVXSGGSA-K

Synonyms
  • (-)-threo-isohomocitrate
  • (-)-1-hydroxy-1,2,4-butanetricarboxylate
  • homo-I-cit
  • 1-hydroxy-1,2,4-butanetricarboxylate
  • 2-hydroxy-3-carboxyadipate
  • homo-iso-citrate
  • 1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid
  • 1-hydroxybutane-1,2,4-tricarboxylate
  • (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate
  • homoisocitrate

Databases
MetaCyc:  HOMO-I-CIT
ChemSpider:  4573580
PubChem (CID):  5459812
ChEBI:  15404
KEGG:  C05662
Seed:  cpd03372
MetaNetX:  MNXM984