Structure Database (LMSD)
Systematic Name
5Z,9Z,21Z-triacontatrienoic acid
Synonyms
3D model of
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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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Amphimedon
(#2630676)
Demospongiae
(#6042)
Amphimic acids and related long-chain fatty acids as DNA topoisomerase I inhibitors from an Australian sponge, Amphimedon sp.: Isolation, structure, synthesis, and biological evaluation,
Tetrahedron, 1997
Tetrahedron, 1997
String Representations
InChiKey (Click to copy)
KBICQESFAAFPAS-ZQTUQZJXSA-N
InChi (Click to copy)
InChI=1S/C30H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h9-10,21-22,25-26H,2-8,11-20,23-24,27-29H2,1H3,(H,31,32)/b10-9-,22-21-,26-25-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCC/C=C\CCCCCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
0
Aromatic Rings
0
Rotatable Bonds
25
Van der Waals Molecular Volume
534.58
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
10.34
Molar Refractivity
142.30
Admin
Created at
13th Apr 2021
Updated at
25th Apr 2022