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Sulfamisterin

  • Formula: C19H36NNaO8S

  • Molecular weight: 461.50

  • Smiles: CCCCCCC(=O)CCCCCCCCC(C(CO)(C(=O)O)N)OS(=O)(=O)[O-].[Na+]

  • Type: Amino acid

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Sulfamisterin

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

Names

  • Mycotoxin name: Sulfamisterin

  • First synonym: None

  • Synonyms: Sulfamisterin,sodium ((2S,3R)-2-amino-2-carboxy-1-hydroxy-12-oxooctadecan-3-yl) sulfate,sodium [(2S,3R)-2-amino-2-carboxy-1-hydroxy-12-oxooctadecan-3-yl] sulfate,CHEBI:185769,LMSP01080021,sodium [(2S,3R)-2-amino-2-carboxy-1-hydroxy-12-oxooctadecan-3-yl] sulate

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Structure

  • Smiles: CCCCCCC(=O)CCCCCCCCC(C(CO)(C(=O)O)N)OS(=O)(=O)[O-].[Na+]

  • Isomeric smiles: CCCCCCC(=O)CCCCCCCC[C@H]([C@@](CO)(C(=O)O)N)OS(=O)(=O)[O-].[Na+]

  • Inchi: InChI=1S/C19H37NO8S.Na/c1-2-3-4-9-12-16(22)13-10-7-5-6-8-11-14-17(28-29(25,26)27)19(20,15-21)18(23)24;/h17,21H,2-15,20H2,1H3,(H,23,24)(H,25,26,27);/q;+1/p-1/t17-,19+;/m1./s1

  • Inchikey: PGDNRSKECWNWIQ-ZFNKBKEPSA-M

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H36NNaO8S

  • Molecular weight: 461.50

  • Monoisotopic mass: 461.20593256

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