Structure Database (LMSD)
Common Name
Myriocin
Systematic Name
Synonyms
3D model of Myriocin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ZZIKIHCNFWXKDY-KTQGLFDKSA-N
InChi (Click to copy)
InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19-,21+/m1/s1
SMILES (Click to copy)
C([C@](C(O)=O)(N)[C@H](O)[C@H](O)C/C=C/CCCCCCC(=O)CCCCCC)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
427.68
Topological Polar Surface Area
141.08
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
3.45
Molar Refractivity
110.90
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Created at
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Updated at
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