Logo Anses
Logo Interreg

Adenophostin b

  • Formula: C18H28N5O19P3

  • Molecular weight: 711.40

  • Smiles: CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C2OP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)CO)O)OP(=O)(O)O)OP(=O)(O)O

Download

Adenophostin b

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

Names

  • Mycotoxin name: Adenophostin b

  • First synonym: Adenophostin b

  • Synonyms: Adenophostin B,CHEBI:34525,Q27116130

Identifiers / External links

Structure

  • Smiles: CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C2OP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)CO)O)OP(=O)(O)O)OP(=O)(O)O

  • Isomeric smiles: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]2OP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)CO)O)OP(=O)(O)O)OP(=O)(O)O

  • Inchi: InChI=1S/C18H28N5O19P3/c1-6(25)36-3-8-12(40-43(27,28)29)13(41-44(30,31)32)10(26)18(38-8)39-11-7(2-24)37-17(14(11)42-45(33,34)35)23-5-22-9-15(19)20-4-21-16(9)23/h4-5,7-8,10-14,17-18,24,26H,2-3H2,1H3,(H2,19,20,21)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/t7-,8-,10-,11-,12-,13-,14-,17-,18-/m1/s1

  • Inchikey: ZYMMXLQDBUGSID-WKGHCRPTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H28N5O19P3

  • Molecular weight: 711.40

  • Monoisotopic mass: 711.05913467

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi