Structure Database (LMSD)

Common Name
15-hydroxy-heneicosanoic acid
Systematic Name
15-hydroxy-heneicosanoic acid
Synonyms
LM ID
LMFA01050208
Formula
C21H42O3
Exact Mass
Calculate m/z
342.313395
Sum Composition
FA 21:0;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)
QOHOPIAGXYYWBQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O3/c1-2-3-4-14-17-20(22)18-15-12-10-8-6-5-7-9-11-13-16-19-21(23)24/h20,22H,2-19H2,1H3,(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCCC(O)CCCCCC)(=O)O

Other Databases

LIPIDAT ID
4672
PubChem CID
5312778

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 395.59
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.76
Molar Refractivity 102.93

Admin

Created at
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Updated at
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