Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024869
PROPERTIES
| NPAID | NPA024869 |
|---|---|
| CLUSTER ID | 3710 |
| NODE ID | 2791 |
| NAME | Tallysomycin A |
| FORMULA | C68H110N22O27S2 |
| MOLECULAR WEIGHT (Da) | 1731.8890 |
| ACCURATE MASS (Da) | 1730.7352 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | bacterium |
| InChIKey | VUPBDWQPEOWRQP-UHFFFAOYSA-N |
| InChI | InChI=1S/C68H110N22O27S2/c1-25-42(87-57(89-55(25)74)31(16-38(72)95)81-18-30(71)56(75)105)59(107)88-44(52(32-19-78-24-82-32)114-67-54(48(101)45(98)36(20-91)113-67)115-66-50(103)53(116-68(76)110)46(99)37(21-92)112-66)61(109)83-26(2)35(94)17-40(97)86-43(27(3)93)60(108)90-62(117-65-49(102)47(100)41(73)28(4)111-65)51(104)64-85-34(23-119-64)63-84-33(22-118-63)58(106)80-13-7-9-29(70)15-39(96)79-14-8-12-77-11-6-5-10-69/h19,22-24,26-31,35-37,41,43-54,62,65-67,77,81,91-94,98-104H,5-18,20-21,69-71,73H2,1-4H3,(H2,72,95)(H2,75,105)(H2,76,110)(H,78,82)(H,79,96)(H,80,106)(H,83,109)(H,86,97)(H,88,107)(H,90,108)(H2,74,87,89) |
| SMILES | CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kawaguchi H; Tsukiura H; Tomita K; Konishi M; Saito K Tallysomycin, a new antitumor antibiotic complex related to bleomycin. I. Production, isolation and properties. Journal of Antibiotics 1977 30 (10) 779-788. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.30.779 | PMID | 591443 |
