Structure database (LMSD)

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LM IDLMFA01050427
Common Name3-hydroxypalmitic acid methyl ester
Systematic NameMethyl 3-hydroxyhexadecanoate
Synonyms-
Exact Mass
286.2508 (neutral)    Calculate m/z:
FormulaC17H34O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem CID103553
KEGG IDC11849
CHEBI ID29479
CAYMAN ID20108
InChIKeyYBTWUESFQWFDMR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C(CC(O)CCCCCCCCCCCCC)(=O)OC
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MS SpectraView MoNA MS spectra     
StatusActive
ReferencesFlavier AB et al., Mol Bacteriol 1997, 26, 251
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
326.39Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP4.90Molar
Refractivity
84.23