citrate

citrate




Chemical Formula:
C6H5O7
Molecular Weight:
189.101 Daltons
Monoisotopic Mass:
192.0270026115 Daltons
SMILES:
C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]
InChI:
1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKey:
KRKNYBCHXYNGOX-UHFFFAOYSA-K

Synonyms
  • citr
  • cit
  • citric acid
  • 2-hydroxy-1,2,3-propanetricarboxylic acid
  • 2-Hydroxytricarballylic acid

Databases
MetaCyc:  CIT
RefMet:  Citric acid
BiGG:  cit
MetaboLights:  MTBLC16947
HMDB:  HMDB00094
ChemSpider:  29081
PubChem (CID):  31348 311
KNApSAcK:  C00007619
ChEBI:  16947 30769
KEGG:  C00158
CAS:  77-92-9
PupChem (SID):  3458
CHEMBL:  CHEMBL1261
PDB-CCD:  CIT FLC
3DMET:  B00046
NIKKAJI:  J2.824J
MediaDB:  compounds/154/
Seed:  cpd00137
MetaNetX:  MNXM131