Structure Database (LMSD)
Common Name
Amphimic acid C
Systematic Name
(11S)-10,11-methylene-5Z,9E-hexacosadienoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Amphimic acid C
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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)
PLUYRZCFIFXPDL-SHUBPKEUSA-N
InChi (Click to copy)
InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-25-24-26(25)22-19-16-13-14-17-20-23-27(28)29/h13-14,22,25H,2-12,15-21,23-24H2,1H3,(H,28,29)/b14-13-,26-22+/t25-/m0/s1
SMILES (Click to copy)
C(CCC/C=C\CC/C=C1\C[C@@H]\1CCCCCCCCCCCCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
1
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
472.96
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
9.01
Molar Refractivity
126.36
Admin
Created at
-
Updated at
13th Apr 2021