(3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid (CHEBI:184339)

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CHEBI:184339 - (3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid

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ChEBI ID	CHEBI:184339
ChEBI Name	(3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C53H95NO10P
Net Charge	+1
Average Mass	937.314
Monoisotopic Mass	936.66881
SMILES	CCCCCc1cc(C)c(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCc2oc(CCCCC)c(C)c2C)COP(=O)(O)OCC[N+](C)(C)C)o1
InChI	InChI=1S/C53H94NO10P/c1-9-11-27-33-47-41-44(3)49(62-47)34-29-23-19-17-18-22-26-32-38-53(56)63-48(43-61-65(57,58)60-40-39-54(6,7)8)42-59-52(55)37-31-25-21-16-14-13-15-20-24-30-36-51-46(5)45(4)50(64-51)35-28-12-10-2/h41,48H,9-40,42-43H2,1-8H3/p+1
InChIKey	PRLWJNJVYWNAPH-UHFFFAOYSA-O

Species of Metabolite	Component	Source	Comments
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)
	(3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid (CHEBI:184339) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)

IUPAC Name
2-[[3-[13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoyloxy]-2-[11-(3-methyl-5-pentyluran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Manual Xrefs	Databases
HMDB0061414	HMDB