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CHEBI:171639 - PE-NMe2(18:3(6Z,9Z,12Z)/15:0)

ChEBI IDCHEBI:171639
ChEBI NamePE-NMe2(18:3(6Z,9Z,12Z)/15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74NO8P
Net Charge0
Average Mass728.005
Monoisotopic Mass727.51520
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C40H74NO8P/c1-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3)4)49-40(43)33-31-29-27-25-22-18-16-14-12-10-8-6-2/h13,15,19-20,23-24,38H,5-12,14,16-18,21-22,25-37H2,1-4H3,(H,44,45)/b15-13-,20-19-,24-23-
InChIKeyJUSVPIWYGXPCAO-ALGFGKNXSA-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)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe2(18:3(6Z,9Z,12Z)/15:0) (CHEBI:171639) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-pentadecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
74850884ChemSpider
HMDB0114096HMDB