Structure Database (LMSD)

Common Name
xi-5-Hydroxydodecanoic acid
Systematic Name
5-hydroxydodecanoic acid
Synonyms
LM ID
LMFA01050529
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)
LXNOENXQFNYMGT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O3/c1-2-3-4-5-6-8-11(13)9-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
SMILES (Click to copy)
OC(=O)CCCC(CCCCCCC)O

Other Databases

HMDB ID
HMDB0040169
CHEBI ID
171725
PubChem CID
24520

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

Admin

Created at
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Updated at
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