CHEBI:72962 - N-icosanoylsphingosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-icosanoylsphingosine
ChEBI ID CHEBI:72962
ChEBI ASCII Name N-icosanoylsphingosine
Definition A N-acylsphingosine in which the ceramide N-acyl group is specified as eicosanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information eMolecules:715863, ZINC000008860497
Download Molfile XML SDF
Formula C38H75NO3
Net Charge 0
Average Mass 594.00700
Monoisotopic Mass 593.57470
InChI InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-37,40-41H,3-30,32,34-35H2,1-2H3,(H,39,42)/b33-31+/t36-,37+/m0/s1
InChIKey XWBWIAOWSABHFI-NUKVNZTCSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=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-icosanoylsphingosine (CHEBI:72962) has functional parent icosanoic acid (CHEBI:28822)
N-icosanoylsphingosine (CHEBI:72962) has role mouse metabolite (CHEBI:75771)
N-icosanoylsphingosine (CHEBI:72962) is a N-acylsphingosine (CHEBI:52639)
N-icosanoylsphingosine (CHEBI:72962) is a Cer(d38:1) (CHEBI:137570)
IUPAC Name
N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]icosanamide
Synonyms Sources
Cer(d18:1/20:0) LIPID MAPS
N-(eicosanoyl)ceramide LIPID MAPS
N-(eicosanoyl)sphing-4-enine SUBMITTER
N-(icosanoyl)ceramide ChEBI
N-(icosanoyl)sphing-4-enine ChEBI
N-eicosanoyl-sphing-4-enine UniProt
N-eicosanoylsphing-4-enine SUBMITTER
N-eicosanoylsphingosine SUBMITTER
N-icosanoylsphing-4-enine ChEBI
Manual Xrefs Databases
HMDB0004951 HMDB
LMSP02010007 LIPID MAPS
View more database links
Registry Number Type Source
7316231 Reaxys Registry Number Reaxys
Last Modified
22 November 2018