(2S,3S)-2-methylcitrate

(2<i>S</i>,3<i>S</i>)-2-methylcitrate




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

Synonyms
  • (2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate

Databases
MetaCyc:  CPD-622
BiGG:  2mcit
ChEBI:  58853
PubChem (CID):  46878460
MetaNetX:  MNXM90279
KEGG:  C02225
PupChem (SID):  5290
3DMET:  B01547