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CHEBI:184461 - [(2R)-3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[11-(3-methyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy][2-(methylamino)ethoxy]phosphinic acid

ChEBI IDCHEBI:184461
ChEBI Name[(2R)-3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[11-(3-methyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy][2-(methylamino)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H74NO10P
Net Charge0
Average Mass796.036
Monoisotopic Mass795.50503
SMILESCCCc1cc(C)c(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)COP(=O)(O)OCCNC)o1
InChIInChI=1S/C43H74NO10P/c1-7-23-37-31-34(3)39(52-37)25-19-15-11-9-10-12-18-22-28-43(46)53-38(33-51-55(47,48)50-30-29-44-6)32-49-42(45)27-21-17-14-13-16-20-26-41-36(5)35(4)40(54-41)24-8-2/h31,38,44H,7-30,32-33H2,1-6H3,(H,47,48)/t38-/m1/s1
InChIKeyQRYPOBAVFJSGPY-KXQOOQHDSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
[(2R)-3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[11-(3-methyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy][2-(methylamino)ethoxy]phosphinic acid (CHEBI:184461) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[(2R)-1-[9-(3,4-dimethyl-5-propyluran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 11-(3-methyl-5-propyluran-2-yl)undecanoate
Manual XrefsDatabases
HMDB0113812HMDB
74876434ChemSpider