Structure Database (LMSD)

Common Name
15-hydroxy-pentadecanoic acid
Systematic Name
15-hydroxy-pentadecanoic acid
Synonyms
LM ID
LMFA01050182
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

Classification

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

String Representations

InChiKey (Click to copy)
BZUNJUAMQZRJIP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCO)(=O)O

Other Databases

LIPIDAT ID
4939
CHEBI ID
79169
PubChem CID
78360
SwissLipids ID
SLM:000390156
Cayman ID
24648

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
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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Created at
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Updated at
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