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CHEBI:184744 - (2-{[hydroxy({[(2S,3R)-3-hydroxy-2-[(1-hydroxyhexadecylidene)amino]octadecyl]oxy})phosphoryl]oxy}ethyl)trimethylazanium

ChEBI IDCHEBI:184744
ChEBI Name(2-{[hydroxy({[(2S,3R)-3-hydroxy-2-[(1-hydroxyhexadecylidene)amino]octadecyl]oxy})phosphoryl]oxy}ethyl)trimethylazanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H82N2O6P
Net Charge+1
Average Mass706.067
Monoisotopic Mass705.59050
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C39H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37-38,42H,6-36H2,1-5H3,(H-,40,43,44,45)/p+1/t37-,38+/m0/s1
InChIKeyQHZIGNLCLJPLCU-QPPIDDCLSA-O
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(2-{[hydroxy({[(2S,3R)-3-hydroxy-2-[(1-hydroxyhexadecylidene)amino]octadecyl]oxy})phosphoryl]oxy}ethyl)trimethylazanium (CHEBI:184744) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadecoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Manual XrefsDatabases
C00550KEGG COMPOUND
4446704ChemSpider
HMDB0010168HMDB
SphingomyelinsMetaCyc