Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017927
PROPERTIES
| NPAID | NPA017927 |
|---|---|
| CLUSTER ID | 2836 |
| NODE ID | 2187 |
| NAME | Polymyxin Nva-E1 |
| FORMULA | C51H96N16O13 |
| MOLECULAR WEIGHT (Da) | 1141.4280 |
| ACCURATE MASS (Da) | 1140.7343 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | polymyxa var. colistinus |
| InChIKey | OVODYYFQBMUPHB-UHFFFAOYSA-N |
| InChI | InChI=1S/C51H96N16O13/c1-8-28(5)12-10-11-13-39(70)58-32(14-20-52)47(76)67-41(30(7)69)51(80)64-35(17-23-55)44(73)63-37-19-25-57-50(79)40(29(6)68)66-48(77)36(18-24-56)62-43(72)33(15-21-53)60-42(71)31(9-2)59-49(78)38(26-27(3)4)65-45(74)34(16-22-54)61-46(37)75/h27-38,40-41,68-69H,8-26,52-56H2,1-7H3,(H,57,79)(H,58,70)(H,59,78)(H,60,71)(H,61,75)(H,62,72)(H,63,73)(H,64,80)(H,65,74)(H,66,77)(H,67,76) |
| SMILES | CCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CCN)NC(=O)C(CCN)NC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)CCCCC(C)CC)C(C)O)CCN)CCN |
ORIGINAL ISOLATION REFERENCE
| CITATION | Orwa, J A; Govaerts, C; Busson, R; Roets, E; Van Schepdael, A; Hoogmartens, J Isolation and structural characterization of colistin components Journal of Antibiotics 2001 54 (7) 595-599. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.54.595 | PMID | 11560379 |
