Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014833
PROPERTIES
| NPAID | NPA014833 |
|---|---|
| CLUSTER ID | 1440 |
| NODE ID | 1192 |
| NAME | Mannopeptimycin β |
| FORMULA | C42H58N12O15 |
| MOLECULAR WEIGHT (Da) | 970.9950 |
| ACCURATE MASS (Da) | 970.4145 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | hygroscopicus |
| InChIKey | YBILMIDCJFLBHS-QVYPULOLSA-N |
| InChI | InChI=1S/C42H58N12O15/c1-17(19-5-3-2-4-6-19)27-37(66)48-21(11-18-7-9-20(57)10-8-18)36(65)52-28(30(59)22-12-46-41(43)50-22)39(68)53-29(38(67)49-23(15-55)35(64)45-14-26(58)51-27)31(60)24-13-47-42(44)54(24)40-34(63)33(62)32(61)25(16-56)69-40/h2-10,17,21-25,27-34,40,55-57,59-63H,11-16H2,1H3,(H2,44,47)(H,45,64)(H,48,66)(H,49,67)(H,51,58)(H,52,65)(H,53,68)(H3,43,46,50)/t17-,21+,22-,23-,24-,25+,27-,28?,29+,30-,31-,32+,33-,34-,40-/m0/s1 |
| SMILES | C[C@H]([C@H]1C(=O)N[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CO)[C@H]([C@@H]2CN=C(N2[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N)O)[C@H]([C@@H]4CN=C(N4)N)O)CC5=CC=C(C=C5)O)C6=CC=CC=C6 |
ORIGINAL ISOLATION REFERENCE
| CITATION | He, Haiyin; Williamson, R Thomas; Shen, Bo; Graziani, Edmund I; Yang, Hui Y; Sakya, Subas M; Petersen, Pete J; Carter, Guy T Mannopeptimycins, novel antibacterial glycopeptides from Streptomyces hygroscopicus, LL-AC98 Journal of the American Chemical Society 2002 124 (33) 9729-9736. | ||
|---|---|---|---|
| DOI | 10.1021/ja020257s | PMID | 12175230 |
