Structure database (LMSD)

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LM IDLMFA01050252
Common Name3S-hydroxy-dodecanoic acid
Systematic Name3S-hydroxy-dodecanoic acid
SynonymsDodecanoic acid, 3-hydroxy-, (S)-; L-3-Hydroxydodecanoic acid
Exact Mass
216.1725 (neutral)    Calculate m/z:
FormulaC12H24O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDAT ID4598
PubChem CID5312805
HMDB IDHMDB10728
CHEBI ID43197
InChIKeyMUCMKTPAZLSKTL-NSHDSACASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,
15)/t11-/m0/s1
SMILESC(C[C@@H](O)CCCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
239.89Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP3.25Molar
Refractivity
61.38