Structure Database (LMSD)

Common Name
12-hydroxy-8E,10E-heptadecadienoic acid
Systematic Name
12-hydroxy-8E,10E-heptadecadienoic acid
Synonyms
LM ID
LMFA01050194
Formula
C17H30O3
Exact Mass
Calculate m/z
282.219495
Sum Composition
FA 17:2;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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
INVCGLRLLKLTGP-SIGMCMEVSA-N
InChi (Click to copy)
InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h6,8,11,14,16,18H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b8-6+,14-11+
SMILES (Click to copy)
C(CCCCCC/C=C/C=C/C(O)CCCCC)(=O)O

Other Databases

LIPIDAT ID
4069
CHEBI ID
168099
PubChem CID
5312764

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 321.11
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.75
Molar Refractivity 84.28

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Created at
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Updated at
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