Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013003
PROPERTIES
| NPAID | NPA013003 |
|---|---|
| CLUSTER ID | 2836 |
| NODE ID | 2187 |
| NAME | Polymyxin E7 |
| FORMULA | C53H100N16O13 |
| MOLECULAR WEIGHT (Da) | 1169.4820 |
| ACCURATE MASS (Da) | 1168.7656 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | polymyxa var. colistinus |
| InChIKey | IEGKXZISTLHOJK-UHFFFAOYSA-N |
| InChI | InChI=1S/C53H100N16O13/c1-28(2)12-10-9-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-29(3)4)67-51(80)40(27-30(5)6)66-46(75)35(16-22-56)61-47(38)76/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77) |
| SMILES | CC(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)CC(C)C)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 |
