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CHEBI:194564 - PC(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:194564
ChEBI NamePC(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H80NO8P
Net Charge0
Average Mass830.141
Monoisotopic Mass829.56216
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H80NO8P/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/h14-17,20-22,24-26,29-32,35,37,46H,6-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1
InChIKeySWQNTOGLOMHKPO-IJSXSWMXSA-N
Species of MetaboliteComponentSourceComments
Macaca fascicularis (ncbitaxon:9541) blood plasma (BTO:0000131) MetaboLights (MTBLS5005)
ChEBI Ontology
Outgoing Relation(s)
PC(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:194564) 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-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24766849ChemSpider
HMDB0008187HMDB