sphingosine

Ligand id: 2452

Name: sphingosine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 66.48
Molecular weight 299.28
XLogP 6.02
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2S,3R)-2-aminooctadec-4-ene-1,3-diol
Synonyms
cerebroside | D-erythrosphingosine | D-sphingosine
Database Links
BindingDB Ligand 83205
CAS Registry No. 123-78-4
ChEBI CHEBI:16393
ChEMBL Ligand CHEMBL67166
DrugBank Ligand DB03203
PubChem CID 5280335
RCSB PDB Ligand SQS
Search Google for chemical match using the InChIKey WWUZIQQURGPMPG-KRWOKUGFSA-N
Search Google for chemicals with the same backbone WWUZIQQURGPMPG
Search UniChem for chemical match using the InChIKey WWUZIQQURGPMPG-KRWOKUGFSA-N
Search UniChem for chemicals with the same backbone WWUZIQQURGPMPG
Wikipedia Sphingosine