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
Main
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
References
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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