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CHEBI:171218 - PC(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:171218
ChEBI NamePC(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74NO8P
Net Charge0
Average Mass752.027
Monoisotopic Mass751.51520
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,25,27,40H,6-7,9,11-13,15,18,22-24,26,28-39H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,27-25-/t40-/m1/s1
InChIKeyZNSRWHZSOOOECB-IHLJWWGMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PC(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:171218) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01010692LIPID MAPS
24766678ChemSpider
HMDB0008009HMDB