Fumonisin C4

Formula: C33H57NO13
Molecular weight: 675.80
Smiles: CCCCC(C)C(C(CC(C)CCCCCCCCC(CN)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
Type: Fumonisin

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Fumonisin C4

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Fumonisin C4
First synonym: None
Synonyms: Fumonisin C4,(2R)-2-(2-((5R,6R,7S,9S,18S)-19-amino-6-((3R)-3,4-dicarboxybutanoyl)oxy-18-hydroxy-5,9-dimethylnonadecan-7-yl)oxy-2-oxoethyl)butanedioic acid,(2R)-2-[2-[(5R,6R,7S,9S,18S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-18-hydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid,2-(2-(((5R,6R,7S,9S,18S)-19-amino-6-((3,4-dicarboxybutanoyl)oxy)-18-hydroxy-5,9-dimethylnonadecan-7-yl)oxy)-2-oxoethyl)butanedioate,2-(2-{[(5R,6R,7S,9S,18S)-19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-18-hydroxy-5,9-dimethylnonadecan-7-yl]oxy}-2-oxoethyl)butanedioate,LMSP01080030

Smiles: CCCCC(C)C(C(CC(C)CCCCCCCCC(CN)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
Isomeric smiles: CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCCCC[C@@H](CN)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O
Inchi: 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
Inchikey: XRBVYXJCGATDLV-RVOPWPSLSA-N

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
543	Fusarium moniliforme
553	Fusarium proliferatum