Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028552
PROPERTIES
| NPAID | NPA028552 |
|---|---|
| CLUSTER ID | 8532 |
| NODE ID | 5777 |
| NAME | Stalobacin I |
| FORMULA | C57H92N14O22 |
| MOLECULAR WEIGHT (Da) | 1325.4390 |
| ACCURATE MASS (Da) | 1324.6511 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | SCMCYOOSRHMIRF-HNYUTTIDSA-N |
| InChI | InChI=1S/C57H92N14O22/c1-5-7-8-9-10-11-12-13-14-15-16-17-29-20-30(29)18-19-35(73)46(83)67-41(43(81)52(90)91)50(87)69(4)34(22-39(78)79)49(86)71(57-23-31(57)26-70(53(57)92)55(61)62)28-93-56(3,6-2)44(48(85)63-25-37(75)65-33(27-72)51(88)89)68-47(84)40(42(80)36(74)24-64-54(59)60)66-45(82)32(58)21-38(76)77/h11-12,18-19,29-36,40-44,72-74,80-81H,5-10,13-17,20-28,58H2,1-4H3,(H3,61,62)(H,63,85)(H,65,75)(H,66,82)(H,67,83)(H,68,84)(H,76,77)(H,78,79)(H,88,89)(H,90,91)(H4,59,60,64)/b12-11-,19-18+/t29-,30-,31-,32+,33+,34+,35?,36?,40?,41+,42?,43+,44?,56?,57+/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCC[C@@H]1C[C@H]1/C=C/C(O)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(COC(C)(CC)C(NC(=O)C(NC(=O)[C@@H](N)CC(=O)O)C(O)C(O)CN=C(N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)O)[C@@]12C[C@@H]1CN(C(=N)N)C2=O)[C@H](O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Matsui K; Kan Y; Kikuchi J; Matsushima K; Takemura M; Maki H; Kozono I; Ueda T; Minagawa K Stalobacin: Discovery of Novel Lipopeptide Antibiotics with Potent Antibacterial Activity against Multidrug-Resistant Bacteria. Journal of Medicinal Chemistry 2020 63 (11) 6090-6095. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jmedchem.0c00295 | PMID | 32378891 |
