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CHEBI:170410 - PE(22:1(13Z)/14:1(9Z))

ChEBI IDCHEBI:170410
ChEBI NamePE(22:1(13Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H78NO8P
Net Charge0
Average Mass744.048
Monoisotopic Mass743.54651
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10,12,16-17,39H,3-9,11,13-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,17-16-/t39-/m1/s1
InChIKeyXOTZQQUUCAOSLB-ZDMXYWDMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE(22:1(13Z)/14:1(9Z)) (CHEBI:170410) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0009515HMDB
24768959ChemSpider