CHEBI:67021 - N-docosanoylsphinganine

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ChEBI Name N-docosanoylsphinganine
ChEBI ID CHEBI:67021
ChEBI ASCII Name N-docosanoylsphinganine
Definition A dihydroceramide in which the ceramide N-acyl group is specified as docosanoyl (behenoyl).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C40H81NO3
Net Charge 0
Average Mass 624.07600
Monoisotopic Mass 623.62165
InChI InChI=1S/C40H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38-39,42-43H,3-37H2,1-2H3,(H,41,44)/t38-,39+/m0/s1
InChIKey SXPRAKSDHOEHIG-ZESVVUHVSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
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).
(via N-acylsphinganine )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N-acylsphinganine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-docosanoylsphinganine (CHEBI:67021) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoylsphinganine (CHEBI:67021) has role mouse metabolite (CHEBI:75771)
N-docosanoylsphinganine (CHEBI:67021) is a N-acylsphinganine (CHEBI:31488)
Incoming Ins-1-P-Cer(d18:0/22:0)(1−) (CHEBI:72550) has functional parent N-docosanoylsphinganine (CHEBI:67021)
IUPAC Name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]docosanamide
Synonyms Sources
C22DH Cer LIPID MAPS
Cer(d18:0/22:0) SUBMITTER
DHC-A 18:0/22:0 SUBMITTER
N-(docosanoyl)-dihydroceramide LIPID MAPS
N-(docosanoyl)-sphinganine LIPID MAPS
N-behenoyldihydroceramide ChEBI
N-behenoyldihydrosphingosine ChEBI
N-behenoylsphinganine ChEBI
N-docosanoyldihydroceramide ChEBI
N-docosanoyldihydrosphingosine ChEBI
N-docosanoylsphinganine UniProt
Manual Xrefs Databases
HMDB0011765 HMDB
LMSP02020010 LIPID MAPS
View more database links
Registry Number Type Source
11734127 Reaxys Registry Number Reaxys
Last Modified
23 October 2015