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CHEBI:185321 - (3-{[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyl]oxy}-2-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid

ChEBI IDCHEBI:185321
ChEBI Name(3-{[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyl]oxy}-2-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H81NO10P
Net Charge+1
Average Mass839.125
Monoisotopic Mass838.55926
SMILESCCCCCc1oc(CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)c(C)c1C
InChIInChI=1S/C46H80NO10P/c1-10-12-21-27-42-38(5)39(6)44(57-42)29-23-17-13-15-19-24-30-45(48)52-34-40(35-54-58(50,51)53-33-32-47(7,8)9)55-46(49)31-25-20-16-14-18-22-28-43-37(4)36(3)41(56-43)26-11-2/h40H,10-35H2,1-9H3/p+1
InChIKeyUANIKJWRSQDMPC-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(3-{[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyl]oxy}-2-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid (CHEBI:185321) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
2-[[3-[9-(3,4-dimethyl-5-pentyluran-2-yl)nonanoyloxy]-2-[9-(3,4-dimethyl-5-propyluran-2-yl)nonanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Manual XrefsDatabases
HMDB0061429HMDB