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CHEBI:171215 - PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:171215
ChEBI NamePE(15:0/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74NO8P
Net Charge0
Average Mass752.027
Monoisotopic Mass751.51520
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,29,31,40H,3-10,12,14-16,19,22,24,26-28,30,32-39,43H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,25-23-,31-29-/t40-/m1/s1
InChIKeyGMJZFMGAYZSOKQ-YBHUKKJQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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)
ChEBI Ontology
Outgoing Relation(s)
PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:171215) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
24768413ChemSpider
HMDB0008911HMDB