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| Ligand Name: 2-methylheptadecanoic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB985 |
PubChem:
73416455
|
Synonym(s):
- (2s)-2-methylheptadecanoic acid
- s-methyl-heptadecanoic acid
- chebi:85218
- zinc59518910
- q27158409
- unii-uso2aq1j3z component izuaksawrvfbpe-krwdzbqosa-n
- unii-x33r8u0062 component izuaksawrvfbpe-krwdzbqosa-n
show 6 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCCCCCCCCCCCCC[C@H](C)C(O)=O |
| Standard InChI: InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20/h17H,3-16H2,1-2H3,(H,19,20)/t17-/m0/s1 |
| Molecular Formula: C18H36O2 |
Mol. Weight: 284.27155 |
logP: 6.1884 |
| HBD: 1 | HBA: 1 |
| #Rotatable Bonds: 15 | TPSA: 37.3 |