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Adenophostin a

  • Formula: C16H26N5O18P3

  • Molecular weight: 669.30

  • Smiles: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N

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Adenophostin a

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

Names

  • Mycotoxin name: Adenophostin a

  • First synonym: Adenophostin a

  • Synonyms: adenophostin a,149091-92-9,CHEMBL204385,CHEBI:34524,[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate,Adenophostin,AC1L3X4M,2'-Adenylic acid, 3'-O-(3,4-di-O-phosphono-alpha-D-glucopyranosyl)-,GTPL4124,DTXSID10164167,BDBM50184325,Q4682254,[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate,{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid,2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyphosphate-(2R,3R,4R,5R)-tetrahydro-3-furanyloxy]-6-hydroxymethyl-4,5-dioxyphosphate-(2R,3R,4S,5R,6R)-tetrahydro-2H-3-pyranol

Identifiers / External links

Structure

  • Smiles: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N

  • Isomeric smiles: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N

  • Inchi: InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1

  • Inchikey: RENVITLQVBEFDT-MZQFDOALSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H26N5O18P3

  • Molecular weight: 669.30

  • Monoisotopic mass: 669.04856999

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