Logo Anses
Logo Interreg

Aspereline d

  • Formula: C44H78N10O11

  • Molecular weight: 923.20

  • Smiles: CC(C)C(C(=O)NC(C)(C)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)N1CCCC1CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C

Download

Aspereline d

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

Names

  • Mycotoxin name: Aspereline d

  • First synonym: Aspereline d

  • Synonyms: ASPERELINE D,CHEMBL558561

Identifiers / External links

Structure

  • Smiles: CC(C)C(C(=O)NC(C)(C)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)N1CCCC1CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C

  • Isomeric smiles: C[C@@H](C(=O)NC(C)(C)C(=O)N1CCC[C@H]1CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C

  • Inchi: InChI=1S/C44H78N10O11/c1-23(2)28(47-35(62)41(11,12)52-36(63)42(13,14)48-26(6)56)31(58)50-39(7,8)34(61)46-29(24(3)4)32(59)51-43(15,16)37(64)53-40(9,10)33(60)45-25(5)30(57)49-44(17,18)38(65)54-21-19-20-27(54)22-55/h23-25,27-29,55H,19-22H2,1-18H3,(H,45,60)(H,46,61)(H,47,62)(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,52,63)(H,53,64)/t25-,27-,28-,29-/m0/s1

  • Inchikey: ZNXWJXMRXSYRMW-AMEOFWRWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C44H78N10O11

  • Molecular weight: 923.20

  • Monoisotopic mass: 922.58515334

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