CHEBI:191091 - Pc(17:1/9-hode)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pc(17:1/9-hode)
ChEBI ID CHEBI:191091
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H80NO9P
Net Charge 0
Average Mass 786.085
Monoisotopic Mass 785.55707
InChI InChI=1S/C43H80NO9P/c1-6-8-10-12-14-15-16-17-18-19-20-22-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44(3,4)5)53-43(47)35-31-27-23-25-29-33-40(45)32-28-24-21-13-11-9-7-2/h16-17,21,24,28,32,40-41,45H,6-15,18-20,22-23,25-27,29-31,33-39H2,1-5H3/b17-16-,24-21-,32-28+
InChIKey FDDMGXLFHNVDGA-BVUMMSLXSA-N
SMILES P(OCC[N+](C)(C)C)(OCC(OC(=O)CCCCCCCC(O)/C=C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)([O-])=O
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing Pc(17:1/9-hode) (CHEBI:191091) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[3-[(Z)-heptadec-9-enoyl]oxy-2-[(10E,12Z)-9-hydroxyoctadeca-10,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate