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CHEBI:184838 - [2-(dimethylamino)ethoxy]({2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propoxy})phosphinic acid

ChEBI IDCHEBI:184838
ChEBI Name[2-(dimethylamino)ethoxy]({2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propoxy})phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H70NO8P
Net Charge0
Average Mass711.962
Monoisotopic Mass711.48390
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN(C)C
InChIInChI=1S/C39H70NO8P/c1-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3)4)35-45-38(41)31-29-27-25-23-21-16-14-12-10-8-6-2/h7,9,12-15,18-19,37H,5-6,8,10-11,16-17,20-36H2,1-4H3,(H,43,44)/b9-7-,14-12-,15-13-,19-18-
InChIKeyDMGBBWOTWMOKSK-OLRBJXQPSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
[2-(dimethylamino)ethoxy]({2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propoxy})phosphinic acid (CHEBI:184838) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
HMDB0113902HMDB
74850690ChemSpider