EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:30769 - citric acid

ChEBI IDCHEBI:30769
ChEBI Namecitric acid
Stars
DefinitionA tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.
Secondary ChEBI IDsCHEBI:3727, CHEBI:23322, CHEBI:41523
Last Modified31 October 2024
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC6H8O7
Net Charge0
Average Mass192.123
Monoisotopic Mass192.02700
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=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)
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2-hydroxypropane-1,2,3-tricarboxylic acid
Synonyms  Source
Citric acidKEGG COMPOUND
2-Hydroxy-1,2,3-propanetricarboxylic acidKEGG COMPOUND
2-Hydroxytricarballylic acidKEGG COMPOUND
CITRIC ACIDPDBeChem
H3citIUPAC
3-Carboxy-3-hydroxypentane-1,5-dioic acidHMDB
Manual XrefsDatabases
C00158KEGG COMPOUND
CITPDBeChem
Citric_AcidWikipedia
HMDB0000094HMDB
CITMetaCyc
DB04272DrugBank
D00037KEGG DRUG
C00007619KNApSAcK
666DrugCentral
1359BPDB
Registry NumbersSources
Gmelin:4240Gmelin
Reaxys:782061Reaxys
CAS:77-92-9KEGG COMPOUND
CAS:77-92-9ChemIDplus
CAS:77-92-9NIST Chemistry WebBook
Citations