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CHEBI:20096 - 3-dehydrosphingosine

ChEBI IDCHEBI:20096
ChEBI Name3-dehydrosphingosine
Stars
DefinitionA sphingoid that is the 3-keto analogue of sphingosine.
Last Modified22 August 2012
DownloadsMolfile
FormulaC18H35NO2
Net Charge0
Average Mass297.483
Monoisotopic Mass297.26678
SMILESCCCCCCCCCCCCC/C=C/C(=O)[C@@H](N)CO
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17,20H,2-13,16,19H2,1H3/b15-14+/t17-/m0/s1
InChIKeyVWTPJNGTEYZXFV-ZWKQNVPVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-dehydrosphingosine (CHEBI:20096) has functional parent sphing-4-enine (CHEBI:26743)
3-dehydrosphingosine (CHEBI:20096) has functional parent sphingosine (CHEBI:16393)
3-dehydrosphingosine (CHEBI:20096) is a amino alcohol (CHEBI:22478)
3-dehydrosphingosine (CHEBI:20096) is a enone (CHEBI:51689)
3-dehydrosphingosine (CHEBI:20096) is a sphingoid (CHEBI:35785)
3-dehydrosphingosine (CHEBI:20096) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
(2S,4E)-2-amino-1-hydroxyoctadec-4-en-3-one
Synonym  Source
3-ketosphingosineKEGG COMPOUND
Manual XrefsDatabases
C06121KEGG COMPOUND