Structure Database (LMSD)
Common Name
3-hydroxypalmitic acid methyl ester
Systematic Name
Methyl 3-hydroxyhexadecanoate
Synonyms
3D model of 3-hydroxypalmitic acid methyl ester
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YBTWUESFQWFDMR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3
SMILES (Click to copy)
C(CC(O)CCCCCCCCCCCCC)(=O)OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ralstonia solanacearum
(#305)
Betaproteobacteria
(#28216)
Identification of 3-hydroxypalmitic acid methyl ester as a novel autoregulator controlling virulence in Ralstonia solanacearum.,
Mol Microbiol, 1997
Mol Microbiol, 1997
Pubmed ID:
9383151
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
326.39
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.90
Molar Refractivity
84.23
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Updated at
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