CHEBI:177261 - PC(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

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ChEBI Name PC(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:177261
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H84NO8P
Net Charge 0
Average Mass 834.173
Monoisotopic Mass 833.59346
InChI InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,29,31,35,37,46H,6-13,15,17-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
InChIKey FBWAPFMKODNGIU-IMCFLUOMSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)([O-])=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing PC(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:177261) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766783 ChemSpider
HMDB0008121 HMDB
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