Structure Database (LMSD)
Common Name
(7Z,11E)-heptadec-7,11-dien-9-ynoic acid
Systematic Name
Heptadec-7Z,11E-dien-9-ynoic acid
Synonyms
3D model of (7Z,11E)-heptadec-7,11-dien-9-ynoic 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
Reactions
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References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Heisteria silvianii
(#1472312)
Magnoliopsida
(#3398)
Biosynthesis and function of polyacetylenes and allied natural products.,
Prog Lipid Res, 2008
Prog Lipid Res, 2008
Pubmed ID:
18387369
String Representations
InChiKey (Click to copy)
KKLKCTIZIVVPOJ-WFKFFMJQSA-N
InChi (Click to copy)
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h6-7,10-11H,2-5,12-16H2,1H3,(H,18,19)/b7-6+,11-10-
SMILES (Click to copy)
C(#C/C=C\CCCCCC(O)=O)/C=C/CCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
307.04
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.72
Molar Refractivity
80.92
Admin
Created at
-
Updated at
25th Apr 2022