Chemical Component Summary

NameN-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE
SynonymsC16-CERAMIDE; N-PALMITOYL-D-ERYTHRO-SPHINGOSINE; (2S,3R,4E)-2-PALMITOYLAMINOOCTADEC-4-ENE-1,3-DIOL; (2S,3R,4E)-2-PALMITOYLAMINO-1,3-OCTADEC-4-ENEDIOL
IdentifiersN-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide
FormulaC34 H67 N O3
Molecular Weight537.901
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O
InChIInChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
InChIKeyYDNKGFDKKRUKPY-TURZORIXSA-N

Chemical Details

Formal Charge0
Atom Count105
Chiral Atom Count2
Bond Count104
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 5283564
ChEMBL CHEMBL35292
ChEBI CHEBI:72959