Structure Database (LMSD)
Common Name
9S,10R-epoxy-octadec-12-ynoic acid
Systematic Name
9S,10R-epoxy-12-octadecynoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WBLXRDBPMRYRBK-SJORKVTESA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/t16-,17+/m1/s1
SMILES (Click to copy)
C([C@@H]1O[C@@H]1CC#CCCCCC)CCCCCCC(O)=O
References
Reference
Epoxy Acetylenic Lipids: Their analogues and derivatives. Dmitry V. Kuklev and Valery Dembitsky. Progress in Lipid Research, Volume 56, 2014, pp. 67-91.
https://www.sciencedirect.com/science/article/pii/S0163782714000423
https://www.sciencedirect.com/science/article/pii/S0163782714000423
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Crepis foetida
(#268017)
Magnoliopsida
(#3398)
Epoxy acetylenic lipids: their analogues and derivatives.,
Prog Lipid Res, 2014
Prog Lipid Res, 2014
Pubmed ID:
25193612
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
326.05
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.12
Molar Refractivity
86.17
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Updated at
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