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CHEBI:185533 - [2-(dimethylamino)ethoxy]({3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy})phosphinic acid

ChEBI IDCHEBI:185533
ChEBI Name[2-(dimethylamino)ethoxy]({3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy})phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H80NO8P
Net Charge0
Average Mass818.130
Monoisotopic Mass817.56216
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C47H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3)4)56-47(50)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,25-28,45H,5-6,8,10-12,17-18,23-24,29-44H2,1-4H3,(H,51,52)/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-
InChIKeyDYGKFNJHBACOGB-ACTWAVHESA-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]({3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy})phosphinic acid (CHEBI:185533) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
74851155ChemSpider
HMDB0114368HMDB