Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015649
PROPERTIES
| NPAID | NPA015649 |
|---|---|
| CLUSTER ID | 2836 |
| NODE ID | 2187 |
| NAME | Polymyxin Ile-E8 |
| FORMULA | C54H102N16O13 |
| MOLECULAR WEIGHT (Da) | 1183.5090 |
| ACCURATE MASS (Da) | 1182.7812 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | polymyxa var. colistinus |
| InChIKey | ZQDODKJTNPWCKJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H102N16O13/c1-9-30(5)14-12-11-13-15-41(73)61-34(16-22-55)49(78)70-44(33(8)72)54(83)66-37(19-25-58)46(75)64-39-21-27-60-52(81)43(32(7)71)69-50(79)38(20-26-59)63-45(74)36(18-24-57)65-53(82)42(31(6)10-2)68-51(80)40(28-29(3)4)67-47(76)35(17-23-56)62-48(39)77/h29-40,42-44,71-72H,9-28,55-59H2,1-8H3,(H,60,81)(H,61,73)(H,62,77)(H,63,74)(H,64,75)(H,65,82)(H,66,83)(H,67,76)(H,68,80)(H,69,79)(H,70,78) |
| SMILES | CCC(C)CCCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)C(C)CC)CCN)CCN)C(C)O |
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 |
