Structure Database (LMSD)
Common Name
Fumonisin C4
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Fumonisin C4
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)
XRBVYXJCGATDLV-RVOPWPSLSA-N
InChi (Click to copy)
InChI=1S/C33H57NO13/c1-4-5-13-22(3)31(47-30(41)19-24(33(44)45)17-28(38)39)26(46-29(40)18-23(32(42)43)16-27(36)37)15-21(2)12-10-8-6-7-9-11-14-25(35)20-34/h21-26,31,35H,4-20,34H2,1-3H3,(H,36,37)(H,38,39)(H,42,43)(H,44,45)/t21-,22+,23+,24+,25-,26-,31+/m0/s1
SMILES (Click to copy)
C(N)[C@@H](O)CCCCCCCC[C@H](C)C[C@H](OC(=O)C[C@H](C(O)=O)CC(=O)O)[C@H](OC(=O)C[C@H](C(O)=O)CC(=O)O)[C@H](C)CCCC
References
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
688.89
Topological Polar Surface Area
248.05
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
13
logP
5.38
Molar Refractivity
172.24
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Created at
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Updated at
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