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Viridiofungin B

  • Formula: C31H45NO9

  • Molecular weight: 575.70

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

  • Type: Amino alkyl citrate antibiotic

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Viridiofungin B

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

  • Mycotoxin name: Viridiofungin B

  • First synonym: None

  • Synonyms: Viridiofungin B,2-[(E)-1-[(1-carboxy-2-phenylethyl)amino]-1,11-dioxooctadec-3-en-2-yl]-2-hydroxybutanedioic acid,2-((E)-1-((1-carboxy-2-phenylethyl)amino)-1,11-dioxooctadec-3-en-2-yl)-2-hydroxybutanedioic acid,CHEBI:223664

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Structure

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

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

  • Inchi: InChI=1S/C31H45NO9/c1-2-3-4-7-13-18-24(33)19-14-8-5-6-9-15-20-25(31(41,30(39)40)22-27(34)35)28(36)32-26(29(37)38)21-23-16-11-10-12-17-23/h10-12,15-17,20,25-26,41H,2-9,13-14,18-19,21-22H2,1H3,(H,32,36)(H,34,35)(H,37,38)(H,39,40)/b20-15+

  • Inchikey: LLWIRIPHZKGZBH-HMMYKYKNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H45NO9

  • Molecular weight: 575.70

  • Monoisotopic mass: 575.30943201

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