Summary

IMPPAT Phytochemical identifier: IMPHY003500

Phytochemical name: Citric acid

Synonymous chemical names:
citirc acid, citric, citric acid, citric-acid

External chemical identifiers:
CID:311, ChEMBL:CHEMBL1261, ChEBI:30769, ZINC:ZINC000000895081, FDASRS:XF417D3PSL, SureChEMBL:SCHEMBL842, MolPort-046-936-449

---

Chemical structure information

SMILES:
OC(=O)C(CC(=O)O)(CC(=O)O)O

InChI:
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)

InChIKey:
KRKNYBCHXYNGOX-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCC=O)O)))CC=O)O)))O

Functional groups:
CC(=O)O, CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Tricarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 1.055

---

Chemical structure download