Structure Database (LMSD)

Common Name
3S-hydroxy-pentadecanoic acid
Systematic Name
3S-hydroxy-pentadecanoic acid
Synonyms
  • Pentadecanoic acid, 3-hydroxy-, (S)-
  • (+)-3-Hydroxypentadecanoic acid
LM ID
LMFA01050320
Formula
C15H30O3
Exact Mass
Calculate m/z
258.219495
Sum Composition
FA 15:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
ATMSEJBABXCWDW-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)/t14-/m0/s1
SMILES (Click to copy)
C(C[C@@H](O)CCCCCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4936
CHEBI ID
186044
PubChem CID
5312867

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 291.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.42
Molar Refractivity 75.23

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Updated at
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