Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:38:27 UTC
Update Date2022-08-31 22:29:39 UTC
Metabolite IDMMDBc0033191
Metabolite Identification
Common NameN-Hexacosanoylphytosphingosine
DescriptionN-Hexacosanoylphytosphingosine, also known as cer2_26 or N-hexacosanoyl-4-hydroxysphinganine, belongs to the class of organic compounds known as phytoceramides. These are n-acylated 4-hydroxysphinganine. Thus, N-hexacosanoylphytosphingosine is considered to be a ceramide lipid molecule. N-Hexacosanoylphytosphingosine is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Synonyms
ValueSource
Cer2_26ChEBI
Ceramide-2 (phytosphingosine:n-C26:0)ChEBI
N-(Hexacosanoyl)-(4R)-hydroxysphinganineChEBI
N-Hexacosanoyl-4-hydroxysphinganineChEBI
N-(Hexacosanoyl)-4-hydroxysphinganineChEBI
Molecular FormulaC44H89NO4
Average Mass696.1818
Monoisotopic Mass695.679160341
IUPAC NameN-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
Traditional NameN-hexacosanoylphytosphingosine
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1
InChI KeyGKRXVCWVXYHWOD-KZRDWULCSA-N