Structure Database (LMSD)
Common Name
Dihydrosterculic acid
Systematic Name
9S,10R-methylene-octadecanoic acid
Synonyms
- cis-9,10-methylene-octadecanoic acid
3D model of Dihydrosterculic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Escherichia coli B
(#37762)
Gammaproteobacteria
(#1236)
Configurational analysis of cyclopropyl fatty acids isolated from Escherichia coli.,
Org Lett, 2006
Org Lett, 2006
Pubmed ID:
16381572
DOI:
10.1021/ol052550d
String Representations
InChiKey (Click to copy)
PDXZQLDUVAKMBQ-MSOLQXFVSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17-,18+/m1/s1
SMILES (Click to copy)
C(CCCCCCC(=O)O)[C@@]1([H])C[C@@]1([H])CCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
339.84
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.19
Molar Refractivity
89.54
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Updated at
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