choline

Chemical Formula:

C₅H₁₄NO

Molecular Weight:

104.172 Daltons

Monoisotopic Mass:

104.10753907670001 Daltons

SMILES:

C(CO)[N+](C)(C)C

InChI:

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

InChIKey:

OEYIOHPDSNJKLS-UHFFFAOYSA-N

Synonyms

(2-hydroxyethyl)trimethylammonium
Bilineurine

Databases

MetaCyc: CHOLINE

RefMet: Choline

BiGG: chol

Wikipedia: Choline

MetaboLights: MTBLC15354

HMDB: HMDB00097

DRUGBANK: DB00122

ChemSpider: 299

PubChem (CID): 305

ChEBI: 15354

CAS: 62-49-7 123-41-1

KEGG: C00114

PupChem (SID): 3414

CHEMBL: CHEMBL920

PDB-CCD: CHT

3DMET: B00031

NIKKAJI: J4.822D

MediaDB: compounds/112/

Seed: cpd00098

MetaNetX: MNXM90

KNApSAcK: C00007298