CHEBI:184361 - (2-{[hydroxy({[(2S,3R,4E)-3-hydroxy-2-[(1-hydroxytetracosylidene)amino]octadec-4-en-1-yl]oxy})phosphoryl]oxy}ethyl)trimethylazanium

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ChEBI Name (2-{[hydroxy({[(2S,3R,4E)-3-hydroxy-2-[(1-hydroxytetracosylidene)amino]octadec-4-en-1-yl]oxy})phosphoryl]oxy}ethyl)trimethylazanium
ChEBI ID CHEBI:184361
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H96N2O6P
Net Charge +1
Average Mass 816.266
Monoisotopic Mass 815.70005
InChI InChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b40-38+/t45-,46+/m0/s1
InChIKey QEDPUVGSSDPBMD-XTAIVQBESA-O
SMILES P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)(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 (2-{[hydroxy({[(2S,3R,4E)-3-hydroxy-2-[(1-hydroxytetracosylidene)amino]octadec-4-en-1-yl]oxy})phosphoryl]oxy}ethyl)trimethylazanium (CHEBI:184361) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name
2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium
Manual Xrefs Databases
4446708 ChemSpider
HMDB0011697 HMDB
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