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CHEBI:191089 - Pc(17:1/12-hepe)

ChEBI IDCHEBI:191089
ChEBI NamePc(17:1/12-hepe)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78NO9P
Net Charge0
Average Mass808.091
Monoisotopic Mass807.54142
SMILESCC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C45H78NO9P/c1-6-8-10-12-14-15-16-17-18-19-20-24-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46(3,4)5)55-45(49)37-33-29-25-22-21-23-27-31-35-42(47)34-30-26-13-11-9-7-2/h9,11,16-17,22-23,25-27,30-31,35,42-43,47H,6-8,10,12-15,18-21,24,28-29,32-34,36-41H2,1-5H3/b11-9-,17-16-,25-22-,27-23-,30-26-,35-31+
InChIKeyDFDNEKBVWYNWBE-RRSARTOASA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Pc(17:1/12-hepe) (CHEBI:191089) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[3-[(Z)-heptadec-9-enoyl]oxy-2-[(5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate