Structure Database (LMSD)

Common Name
3-hydroxypalmitic acid methyl ester
Systematic Name
Methyl 3-hydroxyhexadecanoate
Synonyms
LM ID
LMFA01050427
Formula
C17H34O3
Exact Mass
Calculate m/z
286.250795
Sum Composition
FA 17:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

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
Pubmed ID: 9383151

Other Databases

KEGG ID
C11849
CHEBI ID
29479
PubChem CID
103553
Cayman ID
20108

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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