Logo Anses
Logo Interreg

Enniatin M1

  • Formula: C35H61N3O10

  • Molecular weight: 683.90

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)C(C)C)C)C(C)C)C(C)C)C)C(C)(CC)O)C(C)C)C

  • Type: Cyclodepsipeptide

Download

Enniatin M1

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

Names

  • Mycotoxin name: Enniatin M1

  • First synonym: None

  • Synonyms: enniatin m1,(3S,6R,9S,12R,15S,18R)-6-[(2S)-butan-2-yl]-18-[(2R)-2-hydroxybutan-2-yl]-4,10,16-trimethyl-3,9,12,15-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone,(3S,6R,9S,12R,15S,18R)-6-((2S)-butan-2-yl)-18-((2R)-2-hydroxybutan-2-yl)-4,10,16-trimethyl-3,9,12,15-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone,CHEBI:205514

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)C(C)C)C)C(C)C)C(C)C)C)C(C)(CC)O)C(C)C)C

  • Isomeric smiles: CC[C@H](C)[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)C(C)C)C(C)C)C)[C@@](C)(CC)O)C(C)C)C

  • Inchi: InChI=1S/C35H61N3O10/c1-16-22(11)27-30(40)37(14)25(20(7)8)34(44)48-28(35(12,45)17-2)31(41)38(15)24(19(5)6)32(42)46-26(21(9)10)29(39)36(13)23(18(3)4)33(43)47-27/h18-28,45H,16-17H2,1-15H3/t22-,23-,24-,25-,26+,27+,28-,35+/m0/s1

  • Inchikey: YDJJCJBDWQCCPB-KVWXDDMGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H61N3O10

  • Molecular weight: 683.90

  • Monoisotopic mass: 683.43569515

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

  • Fungi id Species