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CHEBI:170815 - PC(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)

ChEBI IDCHEBI:170815
ChEBI NamePC(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H80NO8P
Net Charge0
Average Mass794.108
Monoisotopic Mass793.56216
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C45H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,26,28,31,33,43H,6-13,15,17-19,22,25,27,29-30,32,34-42H2,1-5H3/b16-14-,21-20-,24-23-,28-26-,33-31-/t43-/m1/s1
InChIKeyUGZGMYSUUFRYLK-QBTPQBFUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(22:5(4Z,7Z,10Z,13Z,16Z)/15:0) (CHEBI:170815) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767319ChemSpider
HMDB0008658HMDB