Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017349
PROPERTIES
| NPAID | NPA017349 |
|---|---|
| CLUSTER ID | 2836 |
| NODE ID | 2187 |
| NAME | Polymyxin Nva-E2 |
| FORMULA | C50H94N16O13 |
| MOLECULAR WEIGHT (Da) | 1127.4010 |
| ACCURATE MASS (Da) | 1126.7186 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | polymyxa var. colistinus |
| InChIKey | OWNMJDPCSKAPFF-UHFFFAOYSA-N |
| InChI | InChI=1S/C50H94N16O13/c1-8-30-41(70)59-32(14-20-52)42(71)61-35(17-23-55)47(76)65-39(28(6)67)49(78)56-24-18-36(45(74)60-33(15-21-53)44(73)64-37(25-27(4)5)48(77)58-30)62-43(72)34(16-22-54)63-50(79)40(29(7)68)66-46(75)31(13-19-51)57-38(69)12-10-9-11-26(2)3/h26-37,39-40,67-68H,8-25,51-55H2,1-7H3,(H,56,78)(H,57,69)(H,58,77)(H,59,70)(H,60,74)(H,61,71)(H,62,72)(H,63,79)(H,64,73)(H,65,76)(H,66,75) |
| 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)C)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 |
