Structure Database (LMSD)
Systematic Name
18-methyl-trans-4,5-methylenenonadecanoic acid
Synonyms
3D model of
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)
GKMXVYVRGTXGGN-PMACEKPBSA-N
InChi (Click to copy)
InChI=1S/C21H40O2/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-17-20(19)15-16-21(22)23/h18-20H,3-17H2,1-2H3,(H,22,23)/t19-,20-/m0/s1
SMILES (Click to copy)
C(CC[C@@]1([H])C[C@]1([H])CCCCCCCCCCCCC(C)C)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pseudospongosorites suberitoides
(#396895)
Demospongiae
(#6042)
Novel cyclopropane fatty acids from the phospholipids of the Caribbean sponge Pseudospongosorites suberitoides.,
Lipids, 2007
Lipids, 2007
Pubmed ID:
17520308
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
374.44
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.82
Molar Refractivity
98.71
Admin
Created at
14th Dec 2020
Updated at
14th Dec 2020