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Mycestericin B

  • Formula: C21H41NO6

  • Molecular weight: 403.60

  • Smiles: CCCCCCC(CCCCCCC=CCC(C(C(CO)(C(=O)O)N)O)O)O

  • Type: Amino acid

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Mycestericin B

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

Names

  • Mycotoxin name: Mycestericin B

  • First synonym: None

  • Synonyms: Mycestericin B,128341-87-7,(E)-2-Amino-3,4,14-trihydroxy-2-hydroxymethyleicos-6-enoic acid,(E)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)icos-6-enoic acid,6-Eicosenoic acid, 2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)-

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Structure

  • Smiles: CCCCCCC(CCCCCCC=CCC(C(C(CO)(C(=O)O)N)O)O)O

  • Isomeric smiles: CCCCCCC(CCCCCC/C=C/CC(C(C(CO)(C(=O)O)N)O)O)O

  • Inchi: InChI=1S/C21H41NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,17-19,23-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+

  • Inchikey: VYUHMYFZWTWSOT-FMIVXFBMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H41NO6

  • Molecular weight: 403.60

  • Monoisotopic mass: 403.29338803

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