Structure Database (LMSD)
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Scytonema sp.
(#1204)
Cyanophyceae
(#3028117)
Sterol compositions of the filamentous nitrogen-fixing terrestrial cyanobacterium Scytonema sp.,
Folia Microbiol (Praha), 2003
Folia Microbiol (Praha), 2003
Pubmed ID:
12879746
String Representations
InChiKey (Click to copy)
RCXPTZJNVLDKKV-PXBBAZSNSA-N
InChi (Click to copy)
InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](OC)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
449.67
Topological Polar Surface Area
9.23
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
8.33
Molar Refractivity
124.36
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