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CHEBI:185483 - (3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid

ChEBI IDCHEBI:185483
ChEBI Name(3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H95NO10P
Net Charge+1
Average Mass937.314
Monoisotopic Mass936.66881
SMILESCCCCCc1cc(C)c(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCc2oc(CCCCC)c(C)c2C)COP(=O)(O)OCC[N+](C)(C)C)o1
InChIInChI=1S/C53H94NO10P/c1-9-11-27-33-47-41-44(3)49(62-47)34-29-23-19-15-13-14-16-22-26-32-38-53(56)63-48(43-61-65(57,58)60-40-39-54(6,7)8)42-59-52(55)37-31-25-21-18-17-20-24-30-36-51-46(5)45(4)50(64-51)35-28-12-10-2/h41,48H,9-40,42-43H2,1-8H3/p+1
InChIKeyDWMNTCOWSROKIS-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid (CHEBI:185483) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
2-[[3-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]-2-[13-(3-methyl-5-pentyluran-2-yl)tridecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Manual XrefsDatabases
HMDB0061406HMDB