CHEBI:177284 - PC(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))

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ChEBI Name PC(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))
ChEBI ID CHEBI:177284
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C40H70NO8P
Net Charge 0
Average Mass 723.973
Monoisotopic Mass 723.48391
InChI InChI=1S/C40H70NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h8,10,13-16,19-20,23-24,38H,6-7,9,11-12,17-18,21-22,25-37H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,24-23-/t38-/m1/s1
InChIKey QDKAPSZFNPPDNB-YVSASQHNSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)([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(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) (CHEBI:177284) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766892 ChemSpider
HMDB0008230 HMDB
LMGP01011703 LIPID MAPS
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