General
Preferred name
Methyl heptadecanoate
Synonyms
Methyl Margarate ()
Heptadecanoic Acid methyl ester ()
P&D ID
PD117302
CAS
1731-92-6
Tags
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
3
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
284.27
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
15
Ring Count
0
Aromatic Ring Count
0
cLogP
6.03
TPSA
26.3
Fraction CSP3
0.94
Chiral centers
0.0
Largest ring
0.0
QED
0.27
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
