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CHEBI:184906 - [3-(docosanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid

ChEBI IDCHEBI:184906
ChEBI Name[3-(docosanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H102NO8P
Net Charge0
Average Mass900.361
Monoisotopic Mass899.73431
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C52H102NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53-3)48-58-51(54)44-42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-5-2/h18,20,50,53H,4-17,19,21-49H2,1-3H3,(H,56,57)/b20-18-
InChIKeyWMIBGHUYASUEJQ-ZZEZOPTASA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
[3-(docosanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid (CHEBI:184906) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-docosanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
74850405ChemSpider
HMDB0113534HMDB