Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020039
PROPERTIES
| NPAID | NPA020039 |
|---|---|
| CLUSTER ID | 6404 |
| NODE ID | 2800 |
| NAME | Phleomycin |
| FORMULA | C51H75N17O21S2 |
| MOLECULAR WEIGHT (Da) | 1326.3930 |
| ACCURATE MASS (Da) | 1325.4765 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | verticillus |
| InChIKey | QRBLKGHRWFGINE-UGWAGOLRSA-N |
| InChI | InChI=1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17?,18?,20?,21?,24?,25-,26?,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1 |
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O[C@H]3[C@@]([C@H]([C@@H]([C@@H](O3)CO)O)O)(C)O[C@H]4[C@@H]([C@]([C@H](C(O4)CO)O)(C(=O)N)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takita T; Muraoka Y; Yoshioka T; Fujii A; Maeda K The chemistry of bleomycin. IX. The structures of bleomycin and phleomycin. Journal of Antibiotics 1972 25 (12) 755-7. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.25.755 | PMID | 4119701 |
