CHEBI:73894 - aplidiasphingosine

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ChEBI Name aplidiasphingosine
ChEBI ID CHEBI:73894
Definition An 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H43NO3
Net Charge 0
Average Mass 369.58170
Monoisotopic Mass 369.32429
InChI InChI=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
InChIKey ASNURABVVXFZSH-CGWCWHFRSA-N
SMILES CC(CC\C=C(/C)CCCC(C)C(O)CC=C(C)C)C[C@@H](O)[C@@H](N)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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-triol LIPID MAPS
Manual Xref Database
LMSP01080016 LIPID MAPS
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Registry Number Type Source
68862-28-2 CAS Registry Number ChemIDplus
Last Modified
26 September 2013