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

Default Structure
ChEBI IDCHEBI:184361
ChEBI Name(2-{[hydroxy({[(2S,3R,4E)-3-hydroxy-2-[(1-hydroxytetracosylidene)amino]octadec-4-en-1-yl]oxy})phosphoryl]oxy}ethyl)trimethylazanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H96N2O6P
Net Charge+1
Average Mass816.267
Monoisotopic Mass815.70005
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyQEDPUVGSSDPBMD-XTAIVQBESA-O
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
(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 XrefsDatabases
4446708ChemSpider
HMDB0011697HMDB