Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021449
PROPERTIES
| NPAID | NPA021449 |
|---|---|
| CLUSTER ID | 3710 |
| NODE ID | 2791 |
| NAME | Bleomycin A2'-A |
| FORMULA | C54H82N18O21S2 |
| MOLECULAR WEIGHT (Da) | 1383.4890 |
| ACCURATE MASS (Da) | 1382.5343 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | verticillus NIHJ 424 (FERM-P 4543, ATCC 15003) |
| InChIKey | HRWUAXHZSYGTMF-MNDGTESASA-N |
| InChI | InChI=1S/C54H82N18O21S2/c1-19-32(69-45(72-43(19)58)24(11-30(57)76)64-12-23(56)44(59)82)49(86)71-34(40(25-13-61-18-65-25)91-53-42(38(80)36(78)28(14-73)90-53)92-52-39(81)41(93-54(60)88)37(79)29(15-74)89-52)50(87)66-21(3)35(77)20(2)46(83)70-33(22(4)75)48(85)63-10-7-31-67-27(17-94-31)51-68-26(16-95-51)47(84)62-9-6-5-8-55/h13,16-18,20-24,28-29,33-42,52-53,64,73-75,77-81H,5-12,14-15,55-56H2,1-4H3,(H2,57,76)(H2,59,82)(H2,60,88)(H,61,65)(H,62,84)(H,63,85)(H,66,87)(H,70,83)(H,71,86)(H2,58,69,72)/t20-,21+,22+,23-,24+,28+,29-,33-,34+,35+,36-,37-,38-,39-,40-,41-,42-,52+,53+/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)NCCCCN)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 |
