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Mycestericin A

  • Formula: C21H39NO6

  • Molecular weight: 401.50

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

  • Type: Amino acid

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Mycestericin A

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

Names

  • Mycotoxin name: Mycestericin A

  • First synonym: None

  • Synonyms: Mycestericin A,CHEBI:204784,(3R,4R,6E,12E)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)icosa-6,12-dienoic acid

Identifiers / External links

Structure

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

  • Isomeric smiles: CCCCCCC(/C=C/CCCC/C=C/C[C@H]([C@@H](C(CO)(C(=O)O)N)O)O)O

  • Inchi: InChI=1S/C21H39NO6/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/h9,11-12,14,17-19,23-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+/t17?,18-,19+,21?/m1/s1

  • Inchikey: SPUGTKTYKGAGRY-SQMTXKEFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H39NO6

  • Molecular weight: 401.50

  • Monoisotopic mass: 401.27773796

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