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CHEBI:170433 - PE(22:1(13Z)/14:0)

ChEBI IDCHEBI:170433
ChEBI NamePE(22:1(13Z)/14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H80NO8P
Net Charge0
Average Mass746.064
Monoisotopic Mass745.56216
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C41H80NO8P/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/h16-17,39H,3-15,18-38,42H2,1-2H3,(H,45,46)/b17-16-/t39-/m1/s1
InChIKeyAHVVIUYIKIQVDO-SGFDTVKUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE(22:1(13Z)/14:0) (CHEBI:170433) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
24768958ChemSpider
HMDB0009514HMDB