CHEBI:72961 - N-octadecanoylsphingosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-octadecanoylsphingosine
ChEBI ID CHEBI:72961
ChEBI ASCII Name N-octadecanoylsphingosine
Definition A N-acylsphingosine in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information ChemicalBook:CB7852954, eMolecules:478134, ZINC000000895323
Download Molfile XML SDF
Formula C36H71NO3
Net Charge 0
Average Mass 565.95380
Monoisotopic Mass 565.54340
InChI InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1
InChIKey VODZWWMEJITOND-NXCSZAMKSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N-acylsphingosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-octadecanoylsphingosine (CHEBI:72961) has functional parent octadecanoic acid (CHEBI:28842)
N-octadecanoylsphingosine (CHEBI:72961) has role mouse metabolite (CHEBI:75771)
N-octadecanoylsphingosine (CHEBI:72961) is a N-acylsphingosine (CHEBI:52639)
N-octadecanoylsphingosine (CHEBI:72961) is a N-stearoyl-sphingoid base (CHEBI:144711)
IUPAC Name
N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide
Synonyms Sources
C18 Cer LIPID MAPS
Cer(d18:1/18:0) LIPID MAPS
Ceramide (d18:1/18:0) HMDB
N-(octadecanoyl)ceramide LIPID MAPS
N-(octadecanoyl)sphing-4-enine SUBMITTER
N-(stearoyl)ceramide LIPID MAPS
N-octadecanoylsphing-4-enine SUBMITTER
N-octadecanoylsphing-4-enine UniProt
N-stearoylsphing-4-enine ChEBI
N-stearoylsphingosine ChEBI
Manual Xrefs Databases
HMDB0004950 HMDB
LMSP02010006 LIPID MAPS
View more database links
Registry Number Type Source
1717539 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
6814427 PubMed citation Europe PMC
7923481 PubMed citation Europe PMC
Last Modified
19 November 2018