Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014943
PROPERTIES
| NPAID | NPA014943 |
|---|---|
| CLUSTER ID | 3710 |
| NODE ID | 2791 |
| NAME | Not named |
| FORMULA | C60H94N20O22S2 |
| MOLECULAR WEIGHT (Da) | 1511.6640 |
| ACCURATE MASS (Da) | 1510.6293 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | verticillus |
| InChIKey | FLEOSJSDCPKPCJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C60H94N20O22S2/c1-24-38(77-51(80-49(24)64)29(16-36(63)85)72-17-28(61)50(65)91)55(95)79-40(46(30-18-69-23-73-30)100-59-48(44(89)42(87)33(19-81)99-59)101-58-45(90)47(102-60(66)97)43(88)34(20-82)98-58)56(96)74-26(3)41(86)25(2)52(92)78-39(27(4)83)54(94)71-15-9-37-75-32(22-103-37)57-76-31(21-104-57)53(93)70-13-7-12-67-10-5-6-11-68-14-8-35(62)84/h18,21-23,25-29,33-34,39-48,58-59,67-68,72,81-83,86-90H,5-17,19-20,61H2,1-4H3,(H2,62,84)(H2,63,85)(H2,65,91)(H2,66,97)(H,69,73)(H,70,93)(H,71,94)(H,74,96)(H,78,92)(H,79,95)(H2,64,77,80) |
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCNCCC(=O)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Caixia; Si, Shuyi; He, Qiyang; Xu, Hongzhang; Lu, Min; Xie, Yunying; Wang, Yan; Chen, Ruxian Isolation and Characterization of Antibiotic NC0604, a New Analogue of Bleomycin Journal of Antibiotics 2008 61 (12) 747-751. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2008.88 | PMID | 19194033 |
