Structure Database (LMSD)

Common Name
Cytochalasin B
Systematic Name
Synonyms
LM ID
LMPK11000002
Status
Active
Exact Mass
Calculate m/z
479.267174
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
GBOGMAARMMDZGR-TYHYBEHESA-N
InChi (Click to copy)
InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1
SMILES (Click to copy)
[C@@H]1(C)C(=C)[C@@H](O)[C@@H]2C=CC[C@H](C)CCC[C@@H](O)C=CC(=O)O[C@@]32C(=O)N[C@@H](CC2C=CC=CC=2)[C@]13[H]

References

Reference
The Journal of Cell Biology, Vol 92, 69-78, 1982

Other Databases

Wikipedia
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 483.75
Topological Polar Surface Area 97.93
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.64
Molar Refractivity 136.16

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Updated at
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