Structure Database (LMSD)
Common Name
Dimorphecolic acid
Systematic Name
9-hydroxy-10E,12E-octadecadienoic acid
Synonyms
- 9-hydroxy-trans-10,trans-12-octadecadienoic acid
3D model of Dimorphecolic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NPDSHTNEKLQQIJ-SIGMCMEVSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+
SMILES (Click to copy)
C(CCCCCCC(=O)O)C(O)/C=C/C=C/CCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Dimorphotheca sinuata
(#112408)
Magnoliopsida
(#3398)
Dimorphecolic Acid—A Unique Hydroxydienoid Fatty Acid,
J Am Chem Soc, 1960
J Am Chem Soc, 1960
DOI:
10.1021/ja01491a034
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
338.41
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.14
Molar Refractivity
88.90
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Updated at
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