Summary

IMPPAT Phytochemical identifier: IMPHY006331

Phytochemical name: Choline chloride

Synonymous chemical names:
choline chloride

External chemical identifiers:
CID:6209, ChEMBL:CHEMBL282468, ChEBI:133341, FDASRS:45I14D8O27, SureChEMBL:SCHEMBL14957, MolPort-001-785-869

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Chemical structure information

SMILES:
OCC[N+](C)(C)C.[Cl-]

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

InChIKey:
SGMZJAMFUVOLNK-UHFFFAOYSA-M

DeepSMILES:
OCC[N+]C)C)C.[Cl-]

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

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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: 1.264

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Chemical structure download