Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 15:46:47 UTC
Update Date2022-09-01 02:00:27 UTC
Metabolite IDMMDBc0047869
Metabolite Identification
Common NameN-stearoylphytosphingosine
DescriptionN-stearoylphytosphingosine, also known as cer(t18:0/18:0) or N-(octadecanoyl)-phytoceramide, belongs to the class of organic compounds known as phytoceramides. These are n-acylated 4-hydroxysphinganine. Thus, N-stearoylphytosphingosine is considered to be a ceramide lipid molecule. N-stearoylphytosphingosine is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Synonyms
ValueSource
Cer(t18:0/18:0)ChEBI
N-(Octadecanoyl)-4-hydroxysphinganineChEBI
N-(Octadecanoyl)-4R-hydroxysphinganineChEBI
N-(Octadecanoyl)-phytoceramideChEBI
N-(Stearoyl)-phytoceramideChEBI
N-OctadecanoylphytoceramideChEBI
N-OctadecanoylphytosphingosineChEBI
N-Stearoyl-4-hydroxysphinganineChEBI
N-StearoylphytoceramideChEBI
PHC-b 18:0/18:0ChEBI
N-StearoylphytosphingosineChEBI
Molecular FormulaC36H73NO4
Average Mass583.983
Monoisotopic Mass583.553959835
IUPAC NameN-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadecanimidic acid
Traditional NameN-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadecanimidic acid
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CCCCCCCCCCCCCC)[C@@]([H])(O)[C@]([H])(CO)N=C(O)CCCCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)37-33(32-38)36(41)34(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h33-34,36,38-39,41H,3-32H2,1-2H3,(H,37,40)/t33-,34+,36-/m0/s1
InChI KeyIEZRNEGTKRQRFV-LFBNJJMOSA-N