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 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
ChEBI ID CHEBI:184339
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H95NO10P
Net Charge +1
Average Mass 937.313
Monoisotopic Mass 936.66881
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
SMILES P(OCC[N+](C)(C)C)(OCC(OC(=O)CCCCCCCCCCC=1OC(CCCCC)=CC1C)COC(=O)CCCCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (FMA:67338). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study
ChEBI Ontology
Outgoing (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 Xref Database
HMDB0061414 HMDB
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