Structure Database (LMSD)

Common Name
Fumonisin B3
Systematic Name
Synonyms
LM ID
LMSP01080024
Formula
C34H59NO14
Exact Mass
Calculate m/z
705.393559
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

String Representations

InChiKey (Click to copy)
CPCRJSQNWHCGOP-STOIETHLSA-N
InChi (Click to copy)
InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1
SMILES (Click to copy)
C[C@H](N)[C@@H](O)CCCCCC[C@@H](O)C[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

Other Databases

PubChem CID
42608358

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 714.98
Topological Polar Surface Area 268.28
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 5.03
Molar Refractivity 178.76

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Created at
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Updated at
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