Structure Database (LMSD)
Common Name
Amphimic acid A
Systematic Name
(11S)-10,11-methylene-5Z,9E-heptacosadienoic acid
Synonyms
3D model of Amphimic acid A
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)
GNTJEDVVFIJAMK-TXVUYSAVSA-N
InChi (Click to copy)
InChI=1S/C28H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-26-25-27(26)23-20-17-14-15-18-21-24-28(29)30/h14-15,23,26H,2-13,16-22,24-25H2,1H3,(H,29,30)/b15-14-,27-23+/t26-/m0/s1
SMILES (Click to copy)
C(CCC/C=C\CC/C=C1\C[C@@H]\1CCCCCCCCCCCCCCCC)(=O)O
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
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
1
Aromatic Rings
0
Rotatable Bonds
22
Van der Waals Molecular Volume
490.26
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
9.4
Molar Refractivity
130.98
Admin
Created at
-
Updated at
13th Apr 2021