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CHEBI:171272 - PE-NMe2(18:3(6Z,9Z,12Z)/20:1(11Z))

ChEBI IDCHEBI:171272
ChEBI NamePE-NMe2(18:3(6Z,9Z,12Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H82NO8P
Net Charge0
Average Mass796.124
Monoisotopic Mass795.57781
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C45H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h14,16,19-21,23,27,29,43H,5-13,15,17-18,22,24-26,28,30-42H2,1-4H3,(H,49,50)/b16-14-,21-19-,23-20-,29-27-
InChIKeyYVCMAGOVEHZYKQ-CJXSULJVSA-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;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe2(18:3(6Z,9Z,12Z)/20:1(11Z)) (CHEBI:171272) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
74850895ChemSpider
HMDB0114107HMDB