Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021447
PROPERTIES
| NPAID | NPA021447 |
|---|---|
| CLUSTER ID | 3710 |
| NODE ID | 2791 |
| NAME | Bleomycin B1' |
| FORMULA | C50H73N17O21S2 |
| MOLECULAR WEIGHT (Da) | 1312.3660 |
| ACCURATE MASS (Da) | 1311.4608 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | verticillus NIHJ 424 (FERM-P 4543, ATCC 15003) |
| InChIKey | NYJRSYHHHBHHOR-NBANDJESSA-N |
| InChI | InChI=1S/C50H73N17O21S2/c1-15-28(64-42(67-39(15)53)20(7-26(52)71)59-8-19(51)40(54)77)45(81)66-30(36(21-9-57-14-60-21)86-49-38(34(75)32(73)24(10-68)85-49)87-48-35(76)37(88-50(56)83)33(74)25(11-69)84-48)46(82)61-17(3)31(72)16(2)43(79)65-29(18(4)70)44(80)58-6-5-27-62-23(13-89-27)47-63-22(12-90-47)41(55)78/h9,12-14,16-20,24-25,29-38,48-49,59,68-70,72-76H,5-8,10-11,51H2,1-4H3,(H2,52,71)(H2,54,77)(H2,55,78)(H2,56,83)(H,57,60)(H,58,80)(H,61,82)(H,65,79)(H,66,81)(H2,53,64,67)/t16-,17+,18+,19-,20+,24+,25-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,48+,49+/m1/s1 |
| SMILES | CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)C(=O)N[C@@H]([C@@H](C2=CN=CN2)O[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@@H](C)[C@H]([C@@H](C)C(=O)N[C@H]([C@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fujii A; Takita T; Maeda K; Umezawa H Letter: New components of bleomycin. Journal of Antibiotics 1973 26 (7) 396-397. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.26.396 | PMID | 4131335 |
