CHEBI:66985 - N-(docosanoyl)-4-hydroxyeicosasphinganine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(docosanoyl)-4-hydroxyeicosasphinganine
ChEBI ID CHEBI:66985
ChEBI ASCII Name N-(docosanoyl)-4-hydroxyeicosasphinganine
Definition A ceramide that is the N-docosanoyl derivative of 4-hydroxyeicosasphinganine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
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Formula C42H85NO4
Net Charge 0
Average Mass 668.12860
Monoisotopic Mass 667.64786
InChI InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46)/t39-,40+,42-/m0/s1
InChIKey PVYQVQNWNVQYMD-LFVSMIGWSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing N-(docosanoyl)-4-hydroxyeicosasphinganine (CHEBI:66985) is a C20 phytoceramide (CHEBI:71985)
IUPAC Name
N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]docosanamide
Synonyms Sources
Cer(t20:0/22:0) SUBMITTER
N-(docosanoyl)-4-hydroxyicosasphinganine ChEBI
N-(docosanoyl)-4R-hydroxyeicosasphinganine LIPID MAPS
N-docosanoyl-C20-phytosphingosine ChEBI
PHC-B 20:0/22:0 SUBMITTER
Manual Xref Database
LMSP02030012 LIPID MAPS
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Registry Number Type Source
7318771 Reaxys Registry Number Reaxys
Last Modified
04 February 2013