Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008777
PROPERTIES
| NPAID | NPA008777 |
|---|---|
| CLUSTER ID | 3722 |
| NODE ID | 2800 |
| NAME | Zorbamycin |
| FORMULA | C55H85N19O21S2 |
| MOLECULAR WEIGHT (Da) | 1412.5310 |
| ACCURATE MASS (Da) | 1411.5609 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | flavoviridis ATCC 21892 |
| InChIKey | UJKRUPHWCPAJIL-CPLCKGKLSA-N |
| InChI | InChI=1S/C55H85N19O21S2/c1-19-32(71-45(74-43(19)60)24(12-30(59)77)66-13-22(56)44(61)83)48(86)72-33(39(25-14-63-18-67-25)93-53-41(37(81)35(79)21(3)91-53)94-52-38(82)40(95-54(62)89)36(80)28(15-76)92-52)49(87)69-23(8-11-75)34(78)20(2)46(84)73-42(55(4,5)90)50(88)65-10-7-31-68-27(17-96-31)51-70-26(16-97-51)47(85)64-9-6-29(57)58/h14,16,18,20-24,27-28,33-42,52-53,66,75-76,78-82,90H,6-13,15,17,56H2,1-5H3,(H3,57,58)(H2,59,77)(H2,61,83)(H2,62,89)(H,63,67)(H,64,85)(H,65,88)(H,69,87)(H,72,86)(H,73,84)(H2,60,71,74)/t20-,21-,22-,23+,24-,27+,28+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,52+,53-/m0/s1 |
| SMILES | C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H](C2=CN=CN2)[C@@H](C(=O)N[C@H](CCO)[C@H]([C@H](C)C(=O)N[C@H](C(=O)NCCC3=N[C@H](CS3)C4=NC(=CS4)C(=O)NCCC(=N)N)C(C)(C)O)O)NC(=O)C5=C(C(=NC(=N5)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)OC(=O)N)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Liyan; Yun, Bong-Sik; George, Nicholas P.; Wendt-Pienkowski, Evelyn; Galm, Ute; Oh, Tae-Jin; Coughlin, Jane M.; Zhang, Guodong; Tao, Meifeng; Shen, Ben Glycopeptide antitumor antibiotic zorbamycin from Streptomyces flavoviridis ATCC 21892: Strain improvement and structure elucidation Journal of Natural Products 2007 70 (3) 402-406. | ||
|---|---|---|---|
| DOI | 10.1021/np060592k | PMID | 17311457 |
