Summary

IMPPAT Phytochemical identifier: IMPHY004055

Phytochemical name: Choline

Synonymous chemical names:
choline

External chemical identifiers:
CID:305, ChEMBL:CHEMBL920, ChEBI:15354, ZINC:ZINC000003079337, FDASRS:N91BDP6H0X, SureChEMBL:SCHEMBL3142, MolPort-001-792-031

---

Chemical structure information

SMILES:
OCC[N+](C)(C)C

InChI:
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

InChIKey:
OEYIOHPDSNJKLS-UHFFFAOYSA-N

DeepSMILES:
OCC[N+]C)C)C

Functional groups:
CO, C[N+](C)(C)C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Quaternary ammonium salts

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 1.444

---

Chemical structure download