Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021059
PROPERTIES
| NPAID | NPA021059 |
|---|---|
| CLUSTER ID | 2703 |
| NODE ID | 2091 |
| NAME | Herbicolin A |
| FORMULA | C58H101N13O20 |
| MOLECULAR WEIGHT (Da) | 1300.5170 |
| ACCURATE MASS (Da) | 1299.7286 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Erwinia |
| ORIGIN SPECIES | herbicola A 111 |
| InChIKey | GMKUYPOKOFFZTR-LCYRERJWSA-N |
| InChI | InChI=1S/C58H101N13O20/c1-9-11-12-13-14-15-16-17-18-20-34(90-57-49(81)48(80)47(79)39(29-72)91-57)26-41(76)65-35(10-2)52(84)70-45-33(7)89-56(88)37(21-19-24-62-58(60)61)67-55(87)46(32(6)74)71(8)43(78)28-64-50(82)36(22-23-40(59)75)66-42(77)27-63-51(83)38(25-30(3)4)68-53(85)44(31(5)73)69-54(45)86/h10,30-34,36-39,44-49,57,72-74,79-81H,9,11-29H2,1-8H3,(H2,59,75)(H,63,83)(H,64,82)(H,65,76)(H,66,77)(H,67,87)(H,68,85)(H,69,86)(H,70,84)(H4,60,61,62)/b35-10-/t31-,32+,33-,34+,36+,37-,38-,39-,44+,45+,46+,47-,48-,49-,57+/m0/s1 |
| SMILES | CCCCCCCCCCC[C@H](CC(=O)N/C(=C\C)/C(=O)N[C@@H]1[C@@H](OC(=O)[C@@H](NC(=O)[C@H](N(C(=O)CNC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC1=O)[C@H](C)O)CC(C)C)CCC(=O)N)C)[C@@H](C)O)CCCN=C(N)N)C)O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Winkelmann G; Lupp R; Jung G HERBICOLINS-NEW PEPTIDE ANTIBIOTICS FROM ERWINIA HERBICOLA Journal of Antibiotics 1980 33 (4) 353-358. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.33.353 | PMID | 7410203 |
