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Viridiofungin A

  • Formula: C31H45NO10

  • Molecular weight: 591.70

  • Smiles: CCCCCCCC(=O)CCCCCCC=CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)C(CC(=O)O)(C(=O)O)O

  • Type: Amino alkyl citrate antibiotic

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Viridiofungin A

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

  • Mycotoxin name: Viridiofungin A

  • First synonym: None

  • Synonyms: Viridiofungin A,2-[(E)-1-[[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1,11-dioxooctadec-3-en-2-yl]-2-hydroxybutanedioic acid,Viridiofungin a2,Viridiofungin a4,2-((E)-1-((1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-1,11-dioxooctadec-3-en-2-yl)-2-hydroxybutanedioic acid,CHEBI:209813,2-[[1,11-Dioxo-2-(1-hydroxy-1,2-dicarboxyethyl)-3-octadecenyl]amino]-3-(4-hydroxyphenyl)propionic acid

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Structure

  • Smiles: CCCCCCCC(=O)CCCCCCC=CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)C(CC(=O)O)(C(=O)O)O

  • Isomeric smiles: CCCCCCCC(=O)CCCCCC/C=C/C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)C(CC(=O)O)(C(=O)O)O

  • Inchi: InChI=1S/C31H45NO10/c1-2-3-4-7-10-13-23(33)14-11-8-5-6-9-12-15-25(31(42,30(40)41)21-27(35)36)28(37)32-26(29(38)39)20-22-16-18-24(34)19-17-22/h12,15-19,25-26,34,42H,2-11,13-14,20-21H2,1H3,(H,32,37)(H,35,36)(H,38,39)(H,40,41)/b15-12+

  • Inchikey: QSQIZTATOSQHOO-NTCAYCPXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H45NO10

  • Molecular weight: 591.70

  • Monoisotopic mass: 591.30434663

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