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Fumonisin C2

  • Formula: C33H57NO14

  • Molecular weight: 691.80

  • Smiles: CCCCC(C)C(C(CC(C)CCCCCCC(CC(CN)O)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 C2

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Fumonisin C2

  • First synonym: None

  • Synonyms: Fumonisin C2,(2R)-2-[2-[(5R,6R,7S,9S,16R,18S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid,(2R)-2-(2-((5R,6R,7S,9S,16R,18S)-19-amino-6-((3R)-3,4-dicarboxybutanoyl)oxy-16,18-dihydroxy-5,9-dimethylnonadecan-7-yl)oxy-2-oxoethyl)butanedioic acid,CHEBI:169803,LMSP01080028

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Structure

  • Smiles: CCCCC(C)C(C(CC(C)CCCCCCC(CC(CN)O)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)CCCCCC[C@H](C[C@@H](CN)O)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/C33H57NO14/c1-4-5-11-21(3)31(48-30(42)17-23(33(45)46)15-28(39)40)26(47-29(41)16-22(32(43)44)14-27(37)38)13-20(2)10-8-6-7-9-12-24(35)18-25(36)19-34/h20-26,31,35-36H,4-19,34H2,1-3H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t20-,21+,22+,23+,24+,25-,26-,31+/m0/s1

  • Inchikey: QYKFBSMPFHDZBZ-SOBJHFRFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H57NO14

  • Molecular weight: 691.80

  • Monoisotopic mass: 691.37790549

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