Structure Database (LMSD)

Common Name
3R-hydroxy-dodecanoic acid
Systematic Name
3R-hydroxy-dodecanoic acid
Synonyms
  • Dodecanoic acid, 3-hydroxy-, (R)-
  • Dodecanoic acid, 3-hydroxy-, D-(-)- (8CI)
  • (3R)-3-Hydroxydodecanoic acid
  • D-(-)-3-Hydroxydodecanoic acid
  • D-3-Hydroxydodecanoic acid
LM ID
LMFA01050251
Formula
C12H24O3
Exact Mass
Calculate m/z
216.172545
Sum Composition
FA 12:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
MUCMKTPAZLSKTL-LLVKDONJSA-N
InChi (Click to copy)
InChI=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-/m1/s1
SMILES (Click to copy)
C(C[C@H](O)CCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4597
HMDB ID
HMDB0010728
CHEBI ID
43197
PubChem CID
5312804
PDB ID
HXD

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 239.89
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.25
Molar Refractivity 61.38

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Created at
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Updated at
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