CHEBI:67024 - N-docosanoyl-4-hydroxysphinganine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-docosanoyl-4-hydroxysphinganine
ChEBI ID CHEBI:67024
ChEBI ASCII Name N-docosanoyl-4-hydroxysphinganine
Definition A phytoceramide 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 C40H81NO4
Net Charge 0
Average Mass 640.07540
Monoisotopic Mass 639.61656
InChI InChI=1S/C40H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-38,40,42-43,45H,3-36H2,1-2H3,(H,41,44)/t37-,38+,40-/m0/s1
InChIKey CIMNZQFRNXDRER-HIERITDVSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N-acylphytosphingosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-docosanoyl-4-hydroxysphinganine (CHEBI:67024) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]docosanamide
Synonyms Sources
Cer(t18:0/22:0) SUBMITTER
N-(docosanoyl)-4-hydroxysphinganine ChEBI
N-(docosanoyl)-4R-hydroxysphinganine LIPID MAPS
N-(docosanoyl)-phytoceramide LIPID MAPS
N-behenoyl-4-hydroxysphinganine ChEBI
N-behenoylphytoceramide ChEBI
N-behenoylphytosphingosine ChEBI
N-docosanoylphytoceramide ChEBI
N-docosanoylphytosphingosine ChEBI
PHC-B 18:0/22:0 SUBMITTER
Manual Xref Database
LMSP02030008 LIPID MAPS
View more database links
Registry Number Type Source
6828511 Reaxys Registry Number Reaxys
Last Modified
15 August 2012