Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019536
PROPERTIES
| NPAID | NPA019536 |
|---|---|
| CLUSTER ID | 3710 |
| NODE ID | 2791 |
| NAME | Zorbamycin B |
| FORMULA | C54H81N19O21S2 |
| MOLECULAR WEIGHT (Da) | 1396.4880 |
| ACCURATE MASS (Da) | 1395.5296 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | bikiniensis var. zorbonensis |
| InChIKey | MBXBZPPTVVAPCU-KGVKYHRPSA-N |
| InChI | InChI=1S/C54H81N19O21S2/c1-18-32(70-45(73-43(18)59)24(11-30(58)77)65-12-22(55)44(60)83)49(87)72-34(40(25-13-62-17-66-25)92-53-42(38(81)36(79)21(4)90-53)93-52-39(82)41(94-54(61)89)37(80)28(14-75)91-52)50(88)68-23(7-10-74)35(78)19(2)46(84)71-33(20(3)76)48(86)64-9-6-31-67-27(16-95-31)51-69-26(15-96-51)47(85)63-8-5-29(56)57/h13,15-17,19-24,28,33-42,52-53,65,74-76,78-82H,5-12,14,55H2,1-4H3,(H3,56,57)(H2,58,77)(H2,60,83)(H2,61,89)(H,62,66)(H,63,85)(H,64,86)(H,68,88)(H,71,84)(H,72,87)(H2,59,70,73)/t19?,20?,21?,22-,23?,24-,28?,33-,34-,35?,36?,37?,38?,39?,40-,41?,42?,52?,53?/m0/s1 |
| SMILES | CC1C(C(C(C(O1)O[C@@H](C2=CN=CN2)[C@@H](C(=O)NC(CCO)C(C(C)C(=O)N[C@@H](C(C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCC(=N)N)O)NC(=O)C5=C(C(=NC(=N5)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Argoudelis, A D; Bergy, M E; Pyke, T R Zorbamycin and related antibiotics. I. Production, isolation and characterization Journal of Antibiotics 1971 24 (8) 543-557. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.24.543 | PMID | 5092789 |
