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CHEBI:189959 - PE-NMe2(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:189959
ChEBI NamePE-NMe2(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H76NO8P
Net Charge0
Average Mass814.098
Monoisotopic Mass813.53086
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN(C)C
InChIInChI=1S/C47H76NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3)4)43-53-46(49)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-21,23-25,28-31,34,36,45H,5-6,8,10-12,17-18,22,26-27,32-33,35,37-44H2,1-4H3,(H,51,52)/b9-7-,15-13-,16-14-,21-19-,24-23-,25-20-,30-28-,31-29-,36-34-
InChIKeyMGWDEKFWZSTCTN-ZPGCPIAWSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe2(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:189959) 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] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
74850908ChemSpider
HMDB0114120HMDB