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CHEBI:171034 - PE-NMe(20:3(5Z,8Z,11Z)/16:0)

ChEBI IDCHEBI:171034
ChEBI NamePE-NMe(20:3(5Z,8Z,11Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H78NO8P
Net Charge0
Average Mass756.059
Monoisotopic Mass755.54651
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H78NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-22-17-15-13-11-9-7-5-2/h18-19,21,23,26,28,40,43H,4-17,20,22,24-25,27,29-39H2,1-3H3,(H,46,47)/b19-18-,23-21-,28-26-
InChIKeyMOMCWCYAOSFKMZ-KHNOGTKISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(20:3(5Z,8Z,11Z)/16:0) (CHEBI:171034) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0113369HMDB
74850240ChemSpider