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CHEBI:78759 - N,N-dimethylsphingosine

Default Structure
ChEBI IDCHEBI:78759
ChEBI NameN,N-dimethylsphingosine
Stars
ASCII NameN,N-dimethylsphingosine
DefinitionA sphingoid that is sphingosine in which the two amino hydrogens are replaced by methyl groups.
Last Modified11 February 2022
SubmitterSteve
DownloadsMolfile
FormulaC20H41NO2
Net Charge0
Average Mass327.553
Monoisotopic Mass327.31373
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N(C)C
InChIInChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
InChIKeyYRXOQXUDKDCXME-YIVRLKKSSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.1.91 (sphingosine kinase) inhibitor  An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of sphinganine kinase (EC 2.7.1.91).
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)
N,N-dimethylsphingosine (CHEBI:78759) has functional parent sphingosine (CHEBI:16393)
N,N-dimethylsphingosine (CHEBI:78759) has role EC 2.7.1.91 (sphingosine kinase) inhibitor (CHEBI:78760)
N,N-dimethylsphingosine (CHEBI:78759) has role metabolite (CHEBI:25212)
N,N-dimethylsphingosine (CHEBI:78759) is a aminodiol (CHEBI:22501)
N,N-dimethylsphingosine (CHEBI:78759) is a sphingoid (CHEBI:35785)
N,N-dimethylsphingosine (CHEBI:78759) is a tertiary amino compound (CHEBI:50996)
N,N-dimethylsphingosine (CHEBI:78759) is conjugate base of N,N-dimethylsphingosine(1+) (CHEBI:189587)
Incoming Relation(s)
N,N-dimethylsphingosine(1+) (CHEBI:189587) is conjugate acid of N,N-dimethylsphingosine (CHEBI:78759)
IUPAC Name 
(2S,3R,4E)-2-(dimethylamino)octadec-4-ene-1,3-diol
Synonyms  Source
N,N-dimethylsphing-4-enineChEBI
N,N-Dimethyl-D-erythro-sphingosineHMDB
Manual XrefsDatabases
C13914KEGG COMPOUND
HMDB0013645HMDB
LMSP01070001LIPID MAPS
N,N-DimethylsphingosineWikipedia
Registry NumbersSources
Reaxys:8057448Reaxys
CAS:122314-67-4ChemIDplus