Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021448
PROPERTIES
| NPAID | NPA021448 |
|---|---|
| CLUSTER ID | 3710 |
| NODE ID | 2791 |
| NAME | Bleomycin A2'-C |
| FORMULA | C55H79N19O21S2 |
| MOLECULAR WEIGHT (Da) | 1406.4830 |
| ACCURATE MASS (Da) | 1405.5139 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | verticillus NIHJ 424 (FERM-P 4543, ATCC 15003) |
| InChIKey | XONNZOVMPIEEMM-WJSXNDPGSA-N |
| InChI | InChI=1S/C55H79N19O21S2/c1-19-33(71-46(74-44(19)58)25(9-31(57)78)65-11-24(56)45(59)84)50(88)73-35(41(26-12-62-18-67-26)93-54-43(39(82)37(80)29(13-75)92-54)94-53-40(83)42(95-55(60)90)38(81)30(14-76)91-53)51(89)68-21(3)36(79)20(2)47(85)72-34(22(4)77)49(87)64-8-6-32-69-28(16-96-32)52-70-27(15-97-52)48(86)63-7-5-23-10-61-17-66-23/h10,12,15-18,20-22,24-25,29-30,34-43,53-54,65,75-77,79-83H,5-9,11,13-14,56H2,1-4H3,(H2,57,78)(H2,59,84)(H2,60,90)(H,61,66)(H,62,67)(H,63,86)(H,64,87)(H,68,89)(H,72,85)(H,73,88)(H2,58,71,74)/t20-,21-,22+,24+,25+,29+,30-,34-,35+,36-,37-,38-,39+,40-,41-,42+,43-,53-,54+/m0/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)NCCC7=CN=CN7)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 |
