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CHEBI:171636 - PE-NMe2(15:0/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:171636
ChEBI NamePE-NMe2(15:0/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74NO8P
Net Charge0
Average Mass728.005
Monoisotopic Mass727.51520
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChIInChI=1S/C40H74NO8P/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3)4)36-46-39(42)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h7,9,13,15,19-20,38H,5-6,8,10-12,14,16-18,21-37H2,1-4H3,(H,44,45)/b9-7-,15-13-,20-19-
InChIKeyKFYTYMKIGWWVGA-WBEIKAEVSA-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)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe2(15:0/18:3(9Z,12Z,15Z)) (CHEBI:171636) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
HMDB0113922HMDB
74850710ChemSpider