Structure database (LMSD)

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LM IDLMFA01050042
Common Name13-hydroxy-tridecanoic acid
Systematic Name13-hydroxy-tridecanoic acid
Synonyms-
Exact Mass
230.1882 (neutral)    Calculate m/z:
FormulaC13H26O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0308
PubChem CID139065
InChIKeyDWXOPJCPYKBNEC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H26O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h14H,1-12H2,(H,15,16)
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SMILES
C(CCCCCCCCCCO)CC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
257.19Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP3.64Molar
Refractivity
66.00