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 ZINC000004102258
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