BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Citrate

Graphical representations:

Citrate image

Molecular Formula: C6 H8 O7

Natural Isotopic Abundance Mass: 192.1235200000

Mono-Isotopic Molecular Masses:

  • C12N14: 192.027002611
  • C13N14: 198.047131638
  • C12N15: 192.027002611
  • C13N15: 198.047131638

InCHi String: 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)

isomeric and canonical SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O

IUPAC: IUPAC systematic
2-hydroxypropane-1,2,3-tricarboxylic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
citric acid

PubChem Substance (SID):   85164922   149469   3458
PubChem Compound (CID):   311
KEGG: Compound ID   C00158
CAS Registry IDs:   12262-73-6   245654-34-6   43136-35-2   77-92-9
PDB Chemical Component   CIT
Miscellaneous Databases and IDs:   CHEBI 30769   FEMA Number 2306   EINECS 201-069-1   Beilstein Handbook Reference 4-03-00-01272   HSDB 911   NSC 30279   CCRIS 3292   FEMA No. 2306

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.