EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:133862 - desferricoprogen B(3−)
| Formula | C33H51N6O12 |
| Net Charge | -3 |
| Average Mass | 723.801 |
| Monoisotopic Mass | 723.35814 |
| SMILES | [H][C@@]1(CCCN([O-])C(=O)/C=C(\C)CCO)NC(=O)[C@]([H])(CCCN([O-])C(=O)/C=C(\C)CCOC(=O)[C@@H](N)CCCN([O-])C(=O)/C=C(\C)CCO)NC1=O |
| InChI | InChI=1S/C33H51N6O12/c1-22(10-16-40)19-28(42)37(48)13-4-7-25(34)33(47)51-18-12-24(3)21-30(44)39(50)15-6-9-27-32(46)35-26(31(45)36-27)8-5-14-38(49)29(43)20-23(2)11-17-41/h19-21,25-27,40-41H,4-18,34H2,1-3H3,(H,35,46)(H,36,45)/q-3/b22-19+,23-20+,24-21+/t25-,26-,27-/m0/s1 |
| InChIKey | HGCCTBFXHVERQM-CAGSISFISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus niger (ncbitaxon:5061) | - | PubMed (25062661) | Strain: N402 |
| Roles Classification |
|---|
| Chemical Role: | siderophore Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron. |
| Biological Role: | siderophore Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| desferricoprogen B(3−) (CHEBI:133862) has role siderophore (CHEBI:26672) |
| desferricoprogen B(3−) (CHEBI:133862) is a hydroxamic acid anion (CHEBI:24648) |
| desferricoprogen B(3−) (CHEBI:133862) is conjugate base of desferricoprogen B (CHEBI:133861) |
| Incoming Relation(s) |
| coprogen B (CHEBI:133863) has part desferricoprogen B(3−) (CHEBI:133862) |
| desferricoprogen B (CHEBI:133861) is conjugate acid of desferricoprogen B(3−) (CHEBI:133862) |
| IUPAC Name |
|---|
| (3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-hydroxy-3-methylpent-2-enoyl](oxido)amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}(oxido)amino]-3-methyl-5-oxopent-3-en-1-yl N5-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-N5-oxido-L-ornithinate |
| Citations |
|---|