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CHEBI:184310 - [(2R)-2,3-bis({[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(dimethylamino)ethoxy]phosphinic acid

ChEBI IDCHEBI:184310
ChEBI Name[(2R)-2,3-bis({[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(dimethylamino)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H94NO10P
Net Charge0
Average Mass936.306
Monoisotopic Mass935.66153
SMILESCCCCCc1cc(C)c(CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCc2oc(CCCCC)cc2C)o1
InChIInChI=1S/C53H94NO10P/c1-7-9-27-33-47-41-45(3)50(62-47)35-29-23-19-15-11-13-17-21-25-31-37-52(55)59-43-49(44-61-65(57,58)60-40-39-54(5)6)64-53(56)38-32-26-22-18-14-12-16-20-24-30-36-51-46(4)42-48(63-51)34-28-10-8-2/h41-42,49H,7-40,43-44H2,1-6H3,(H,57,58)/t49-/m1/s1
InChIKeyXCFXNKANRUJRFM-ANFMRNGASA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
[(2R)-2,3-bis({[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(dimethylamino)ethoxy]phosphinic acid (CHEBI:184310) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[13-(3-methyl-5-pentyluran-2-yl)tridecanoyloxy]propyl] 13-(3-methyl-5-pentyluran-2-yl)tridecanoate
Manual XrefsDatabases
74876509ChemSpider
HMDB0114710HMDB