Logo Anses
Logo Interreg

ferricrocin

  • Formula: C28H50FeN9O13+3

  • Molecular weight: 776.60

  • Smiles: CC(=[OH+])N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CO)CCCN(C(=[OH+])C)O)CCCN(C(=[OH+])C)O)O.[Fe]

Download

ferricrocin

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

Names

  • Mycotoxin name: ferricrocin

  • First synonym: None

  • Synonyms: Ferricrocin,(cyclic(glycyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy-L-ornithylgylcyl-L-seryl)ato(3-))iron,(cyclo{glycyl-L-serylglycyl-N(5)-(hydroxy-kappaO)-N(5)-[1-(oxo-kappaO)ethyl]-L-ornithyl-N(5)-(hydroxy-kappaO)-N(5)-[1-(oxo-kappaO)ethyl]-L-ornithyl-N(5)-hydroxy-kappaO-N(5)-[1-(oxo-kappaO)ethyl]-L-ornithyl})iron,CHEBI:64492

Identifiers / External links

Structure

  • Smiles: CC(=[OH+])N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CO)CCCN(C(=[OH+])C)O)CCCN(C(=[OH+])C)O)O.[Fe]

  • Isomeric smiles: CC(=[OH+])N(CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N1)CO)CCCN(C(=[OH+])C)O)CCCN(C(=[OH+])C)O)O.[Fe]

  • Inchi: InChI=1S/C28H47N9O13.Fe/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38,48-50H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/p+3/t19-,20-,21-,22-;/m0./s1

  • Inchikey: QLXOENUMLPDRSK-JZVQUOAUSA-Q

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H50FeN9O13+3

  • Molecular weight: 776.60

  • Monoisotopic mass: 776.287743

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