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CHEBI:191076 - Pc(16:0e/13-hode)

ChEBI IDCHEBI:191076
ChEBI NamePc(16:0e/13-hode)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H82NO8P
Net Charge0
Average Mass760.091
Monoisotopic Mass759.57781
SMILESCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C=C\C(O)CCCCC
InChIInChI=1S/C42H82NO8P/c1-6-8-10-11-12-13-14-15-16-17-21-24-27-31-36-48-38-41(39-50-52(46,47)49-37-35-43(3,4)5)51-42(45)34-30-26-23-20-18-19-22-25-29-33-40(44)32-28-9-7-2/h22,25,29,33,40-41,44H,6-21,23-24,26-28,30-32,34-39H2,1-5H3/b25-22-,33-29+
InChIKeyXKIJMCZIJQEKOL-MFMSQQKGSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Pc(16:0e/13-hode) (CHEBI:191076) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
[3-hexadecoxy-2-[(9Z,11E)-13-hydroxyoctadeca-9,11-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate