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CHEBI:185063 - {2,3-bis[(9Z)-tetradec-9-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid

ChEBI IDCHEBI:185063
ChEBI Name{2,3-bis[(9Z)-tetradec-9-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H64NO8P
Net Charge0
Average Mass645.859
Monoisotopic Mass645.43695
SMILESCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C\CCCC
InChIInChI=1S/C34H64NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35-3)43-34(37)27-25-23-21-19-17-15-13-11-9-7-5-2/h10-13,32,35H,4-9,14-31H2,1-3H3,(H,38,39)/b12-10-,13-11-
InChIKeyHKRDLLPZKPKLLN-MIMPSMLTSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
{2,3-bis[(9Z)-tetradec-9-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid (CHEBI:185063) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-tetradec-9-enoate
Manual XrefsDatabases
HMDB0112942HMDB
74849816ChemSpider