Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00010011981 | Gold | 3 |
COMPOUND NPA020099
PROPERTIES
| NPAID | NPA020099 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Mirubactin |
| FORMULA | C26H32N6O11 |
| MOLECULAR WEIGHT (Da) | 604.5730 |
| ACCURATE MASS (Da) | 604.2129 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinosynnema |
| ORIGIN SPECIES | mirum |
| InChIKey | RMMVTPSFXJSKCM-IAGOWNOFSA-N |
| InChI | InChI=1S/C26H32N6O11/c27-26(31-23(39)15-6-2-10-19(35)21(15)37)28-11-3-7-16(29-22(38)14-5-1-9-18(34)20(14)36)24(40)30-17(25(41)42)8-4-12-32(43)13-33/h1-2,5-6,9-10,13,16-17,34-37,43H,3-4,7-8,11-12H2,(H,29,38)(H,30,40)(H,41,42)(H3,27,28,31,39)/t16-,17-/m1/s1 |
| SMILES | NC(=NCCC[C@@H](NC(=O)C1=C(O)C(O)=CC=C1)C(=O)N[C@H](CCCN(O)C=O)C(=O)O)NC(=O)C1=C(O)C(O)=CC=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Giessen, Tobias W.; Franke, Kamila B.; Knappe, Thomas A.; Kraas, Femke I.; Bosello, Mattia; Xie, Xiulan; Linne, Uwe; Marahiel, Mohamed A. Isolation, structure elucidation, and biosynthesis of an unusual hydroxamic acid ester-containing siderophore from actinosynnema mirum Journal of Natural Products 2012 75 (5) 905-914. | ||
|---|---|---|---|
| DOI | 10.1021/np300046k | PMID | 22578145 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C1=CC(=C(C(=C1)O)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN(C=O)OC(=O)C2=C(C(=CC=C2)O)O)C(=O)O | Giessen, Tobias W.; Franke, Kamila B.; Knappe, Thomas A.; Kraas, Femke I.; Bosello, Mattia; Xie, Xiulan; Linne, Uwe; Marahiel, Mohamed A. Isolation, structure elucidation, and biosynthesis of an unusual hydroxamic acid ester-containing siderophore from actinosynnema mirum Journal of Natural Products 2012 75 (5) 905-914. DOI: 10.1021/np300046k PMID: 22578145 | ||
| 2 | NC(=NCCC[C@@H](NC(=O)C1=C(O)C(O)=CC=C1)C(=O)N[C@H](CCCN(O)C=O)C(=O)O)NC(=O)C1=C(O)C(O)=CC=C1 | Kishimoto, Shinji; Nishimura, Shinichi; Kakeya, Hideaki Total Synthesis and Structure Revision of Mirubactin, and Its Iron Binding Activity. Chemistry Letters 2015 44 (10) 1303-1305. DOI: 10.1246/cl.150520 | ||
