Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006502
PROPERTIES
| NPAID | NPA006502 |
|---|---|
| CLUSTER ID | 1440 |
| NODE ID | 1192 |
| NAME | Mannopeptimycin δ |
| FORMULA | C59H86N12O26 |
| MOLECULAR WEIGHT (Da) | 1379.3950 |
| ACCURATE MASS (Da) | 1378.5776 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | hygroscopicus |
| InChIKey | RDNRSBATEDWAIA-MLAUZXNOSA-N |
| InChI | InChI=1S/C59H86N12O26/c1-22(2)13-35(77)96-49-42(81)32(20-74)94-57(47(49)86)97-48-33(21-75)95-56(46(85)44(48)83)92-26-11-9-24(10-12-26)14-27-51(88)69-37(39(78)28-15-63-58(60)67-28)54(91)70-38(40(79)30-16-64-59(61)71(30)55-45(84)43(82)41(80)31(19-73)93-55)53(90)66-29(18-72)50(87)62-17-34(76)68-36(52(89)65-27)23(3)25-7-5-4-6-8-25/h4-12,22-23,27-33,36-49,55-57,72-75,78-86H,13-21H2,1-3H3,(H2,61,64)(H,62,87)(H,65,89)(H,66,90)(H,68,76)(H,69,88)(H,70,91)(H3,60,63,67)/t23-,27+,28-,29-,30-,31+,32+,33+,36-,37?,38+,39-,40-,41+,42+,43-,44+,45-,46-,47-,48+,49-,55-,56-,57+/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[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)OC(=O)CC(C)C)O)O)O)C8=CC=CC=C8 |
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 |
