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CHEBI:9973 - vibriobactin
| Formula | C35H39N5O11 |
| Net Charge | 0 |
| Average Mass | 705.721 |
| Monoisotopic Mass | 705.26461 |
| SMILES | [H][C@@]1(C(=O)NCCCN(CCCNC(=O)c2cccc(O)c2O)C(=O)[C@@]2([H])N=C(c3cccc(O)c3O)O[C@@H]2C)N=C(c2cccc(O)c2O)O[C@H]1C |
| InChI | InChI=1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)/t18-,19+,26+,27-/m0/s1 |
| InChIKey | LLMKLMMXMOTPRU-YOAXHERRSA-N |
| 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) |
| vibriobactin (CHEBI:9973) has role siderophore (CHEBI:26672) |
| vibriobactin (CHEBI:9973) is a 1,3-oxazoles (CHEBI:46812) |
| vibriobactin (CHEBI:9973) is a secondary carboxamide (CHEBI:140325) |
| Incoming Relation(s) |
| ferric-vibriobactin (CHEBI:61375) has functional parent vibriobactin (CHEBI:9973) |
| IUPAC Name |
|---|
| (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4R,5S)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide |
| UniProt Name | Source |
|---|---|
| vibriobactin | UniProt |
| Registry Numbers | Sources |
|---|---|
| CAS:88217-23-6 | KEGG COMPOUND |
| CAS:88217-23-6 | ChemIDplus |
| Citations |
|---|