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CHEBI:171338 - PE-NMe2(16:0/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:171338
ChEBI NamePE-NMe2(16:0/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H80NO8P
Net Charge0
Average Mass770.086
Monoisotopic Mass769.56216
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChIInChI=1S/C43H80NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3)4)39-49-42(45)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2/h19-20,22,24,28,30,41H,5-18,21,23,25-27,29,31-40H2,1-4H3,(H,47,48)/b20-19-,24-22-,30-28-
InChIKeyHGKZFLZDKTUVRH-TYWBJQFYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE-NMe2(16:0/20:3(5Z,8Z,11Z)) (CHEBI:171338) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0113949HMDB
74850737ChemSpider