General
Preferred name
trans-Vaccenic Acid
Synonyms
trans-Vaccenic Acid-d13 ()
P&D ID
PD018590
CAS
693-72-1
62972-93-4
143-25-9
Tags
available
natural product
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
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
282.26
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
15
Ring Count
0
Aromatic Ring Count
0
cLogP
6.11
TPSA
37.3
Fraction CSP3
0.83
Chiral centers
0.0
Largest ring
0.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
