3-ketosphinganine

Ligand id: 6654

Name: 3-ketosphinganine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 63.32
Molecular weight 299.28
XLogP 6.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-amino-1-hydroxyoctadecan-3-one
Synonyms
3-dehydro-D-sphinganine | 3-dehydrosphinganine | 3-ketodihydrosphingosine | ketodihydrosphingosine
Database Links
CAS Registry No. 18944-28-0 (source: Scifinder)
ChEBI CHEBI:17862
PubChem CID 439853
Search Google for chemical match using the InChIKey KBUNOSOGGAARKZ-KRWDZBQOSA-N
Search Google for chemicals with the same backbone KBUNOSOGGAARKZ
Search UniChem for chemical match using the InChIKey KBUNOSOGGAARKZ-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone KBUNOSOGGAARKZ