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CHEBI:171200 - PE-NMe(14:0/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:171200
ChEBI NamePE-NMe(14:0/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74NO8P
Net Charge0
Average Mass752.027
Monoisotopic Mass751.51520
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C42H74NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-15-13-11-9-7-5-2/h12,14,17-18,20-21,23,25,29,31,40,43H,4-11,13,15-16,19,22,24,26-28,30,32-39H2,1-3H3,(H,46,47)/b14-12-,18-17-,21-20-,25-23-,31-29-
InChIKeyVCBZQPSMZJQPNN-VJDTXKCOSA-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)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(14:0/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:171200) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
HMDB0112994HMDB
74849867ChemSpider