Structure Database (LMSD)

Common Name
3-hydroxypalmitic acid methyl ester
Systematic Name
Methyl 3-hydroxyhexadecanoate
Synonyms
LM ID
LMFA01050427
Status
Active
Exact Mass
Calculate m/z
286.250795
Formula
Abbrev



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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Reference
Flavier AB et al., Mol Bacteriol 1997, 26, 251

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
Pubmed ID: 9383151

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

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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