Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006001
PROPERTIES
| NPAID | NPA006001 |
|---|---|
| CLUSTER ID | 2836 |
| NODE ID | 2187 |
| NAME | Polymyxin E4 |
| 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 | IGZOTOYZJGHBOQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C51H96N16O13/c1-8-9-10-11-12-39(70)58-31(13-19-52)46(75)67-41(30(7)69)51(80)63-34(16-22-55)43(72)62-36-18-24-57-50(79)40(29(6)68)66-47(76)35(17-23-56)60-42(71)32(14-20-53)61-48(77)37(25-27(2)3)65-49(78)38(26-28(4)5)64-44(73)33(15-21-54)59-45(36)74/h27-38,40-41,68-69H,8-26,52-56H2,1-7H3,(H,57,79)(H,58,70)(H,59,74)(H,60,71)(H,61,77)(H,62,72)(H,63,80)(H,64,73)(H,65,78)(H,66,76)(H,67,75) |
| SMILES | CCCCCCC(=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 |
