Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021450
PROPERTIES
| NPAID | NPA021450 |
|---|---|
| CLUSTER ID | 3710 |
| NODE ID | 2791 |
| NAME | Bleomycin demethyl A2 |
| FORMULA | C54H81N17O21S3 |
| MOLECULAR WEIGHT (Da) | 1400.5410 |
| ACCURATE MASS (Da) | 1399.4955 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | verticillus NIHJ 424 (FERM-P 4543, ATCC 15003) |
| InChIKey | FWTQNWDTHLXHFI-MNDGTESASA-N |
| InChI | InChI=1S/C54H81N17O21S3/c1-19-32(68-45(71-43(19)57)24(11-30(56)75)63-12-23(55)44(58)81)49(85)70-34(40(25-13-60-18-64-25)90-53-42(38(79)36(77)28(14-72)89-53)91-52-39(80)41(92-54(59)87)37(78)29(15-73)88-52)50(86)65-21(3)35(76)20(2)46(82)69-33(22(4)74)48(84)62-9-7-31-66-27(17-94-31)51-67-26(16-95-51)47(83)61-8-6-10-93-5/h13,16-18,20-24,28-29,33-42,52-53,63,72-74,76-80H,6-12,14-15,55H2,1-5H3,(H2,56,75)(H2,58,81)(H2,59,87)(H,60,64)(H,61,83)(H,62,84)(H,65,86)(H,69,82)(H,70,85)(H2,57,68,71)/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)NCCCSC)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 |
