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CHEBI:73894 - aplidiasphingosine

ChEBI IDCHEBI:73894
ChEBI Nameaplidiasphingosine
Stars
DefinitionAn amino alcohol that is 2-aminooctadeca-8,16-diene-1,3,14-triol substituted by methyl groups at positions 5, 9, 13 and 17 (the 2S,3R,8E stereoisomer).
Last Modified26 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC22H43NO3
Net Charge0
Average Mass369.590
Monoisotopic Mass369.32429
SMILESCC(C)=CCC(O)C(C)CCC/C(C)=C/CCC(C)C[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C22H43NO3/c1-16(2)12-13-21(25)19(5)11-7-9-17(3)8-6-10-18(4)14-22(26)20(23)15-24/h8,12,18-22,24-26H,6-7,9-11,13-15,23H2,1-5H3/b17-8+/t18?,19?,20-,21?,22+/m0/s1
InChIKeyASNURABVVXFZSH-CGWCWHFRSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
aplidiasphingosine (CHEBI:73894) has role metabolite (CHEBI:25212)
aplidiasphingosine (CHEBI:73894) is a amino alcohol (CHEBI:22478)
aplidiasphingosine (CHEBI:73894) is a sphingoid (CHEBI:35785)
IUPAC Name 
(2S,3R,8E)-2-amino-5,9,13,17-tetramethyloctadeca-8,16-diene-1,3,14-triol
Synonym  Source
2S-amino-5,9,13,17-tetramethyl-8E,16-octadecadiene-1,3R,14-triolLIPID MAPS
Manual XrefsDatabases
LMSP01080016LIPID MAPS
Registry NumbersSources
CAS:68862-28-2ChemIDplus