CHEBI:78759 - N,N-dimethylsphingosine

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ChEBI Name N,N-dimethylsphingosine
ChEBI ID CHEBI:78759
ChEBI ASCII Name N,N-dimethylsphingosine
Definition A sphingoid that is sphingosine in which the two amino hydrogens are replaced by methyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H41NO2
Net Charge 0
Average Mass 327.54500
Monoisotopic Mass 327.31373
InChI InChI=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
InChIKey YRXOQXUDKDCXME-YIVRLKKSSA-N
SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C
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.
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).
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ChEBI Ontology
Outgoing 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 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 Sources
N,N-Dimethyl-D-erythro-sphingosine HMDB
N,N-dimethylsphing-4-enine ChEBI
Manual Xrefs Databases
C13914 KEGG COMPOUND
HMDB0013645 HMDB
LMSP01070001 LIPID MAPS
N,N-Dimethylsphingosine Wikipedia
View more database links
Registry Numbers Types Sources
122314-67-4 CAS Registry Number ChemIDplus
8057448 Reaxys Registry Number Reaxys
Last Modified
11 February 2022