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CHEBI:185497 - {3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid

ChEBI IDCHEBI:185497
ChEBI Name{3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H90NO8P
Net Charge0
Average Mass864.243
Monoisotopic Mass863.64041
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C50H90NO8P/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51-3)46-56-49(52)42-40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-5-2/h13,15,18-21,28,30,34,36,48,51H,4-12,14,16-17,22-27,29,31-33,35,37-47H2,1-3H3,(H,54,55)/b15-13-,20-18-,21-19-,30-28-,36-34-
InChIKeyGEWUIEAWVFHUAQ-YNKCRXNVSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
{3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid (CHEBI:185497) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
HMDB0113449HMDB
74850320ChemSpider