General
Preferred name
PD049907
Synonyms
3-ketosphinganine ()
3-keto Sphinganine (d18:0) (hydrochloride) ()
P&D ID
PD049907
CAS
25515-53-1
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
299.28
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
16
Ring Count
0
Aromatic Ring Count
0
cLogP
4.36
TPSA
63.32
Fraction CSP3
0.94
Chiral centers
1.0
Largest ring
0.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
