Chemical Component Summary | |
|---|---|
| Name | CARBOXYMYCOBACTIN T |
| Identifiers | n/a |
| Formula | C35 H49 Fe N5 O12 |
| Molecular Weight | 787.635 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)\C=C/CCCCCCC(=O)O |
| InChI | InChI=1S/C35H50N5O12.Fe/c41-28-16-8-7-13-24(28)33-38-27(23-52-33)32(46)37-26(35(48)51-22-19-29(42)36-25-14-9-12-21-40(50)34(25)47)15-10-11-20-39(49)30(43)17-5-3-1-2-4-6-18-31(44)45;/h5,7-8,13,16-17,25-27,30,33,38,41H,1-4,6,9-12,14-15,18-23H2,(H,36,42)(H,37,46)(H,44,45);/q-3;+4/p-1/b17-5-;/t25-,26-,27-,30-,33?;/m0./s1 |
| InChIKey | GJJULHJRORAZCG-SRTBGGRNSA-M |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 102 |
| Chiral Atom Count | 5 |
| Bond Count | 107 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB04043 |
|---|---|
| Name | Carboxymycobactin T |
| Groups | experimental |
| Synonyms | Carboxymycobactin T |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Neutrophil gelatinase-associated lipocalin | MPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGK... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
