EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189598 - 2-[[(2R)-3-docosa-3,6,9-trienoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

ChEBI IDCHEBI:189598
ChEBI Name2-[[(2R)-3-docosa-3,6,9-trienoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Stars
Last Modified2 September 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H57NO7P
Net Charge+1
Average Mass574.760
Monoisotopic Mass574.38672
SMILESCCCCCCCCCCCCC=CCC=CCC=CCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C30H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h16-17,19-20,22-23,29,32H,5-15,18,21,24-28H2,1-4H3/p+1/t29-/m1/s1
InChIKeySOPYYXJROBESIT-GDLZYMKVSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
liver (BTO:0000759) MetaboLights (MTBLS1887)
heart (BTO:0000562) MetaboLights (MTBLS1887)
serum (BTO:0000133) MetaboLights (MTBLS1887)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-[[(2R)-3-docosa-3,6,9-trienoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium (CHEBI:189598) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name 
2-[[(2R)-3-docosa-3,6,9-trienoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium