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CHEBI:185549 - [3-(hexadecanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid

Default Structure
ChEBI IDCHEBI:185549
ChEBI Name[3-(hexadecanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H90NO8P
Net Charge0
Average Mass816.199
Monoisotopic Mass815.64041
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C46H90NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47-3)42-52-45(48)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2/h18-19,44,47H,4-17,20-43H2,1-3H3,(H,50,51)/b19-18-
InChIKeyCMXHMUJVVUWKIF-HNENSFHCSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
[3-(hexadecanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid (CHEBI:185549) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
74849933ChemSpider
HMDB0113060HMDB