Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020590
PROPERTIES
| NPAID | NPA020590 |
|---|---|
| CLUSTER ID | 4876 |
| NODE ID | 141 |
| NAME | Siamycin I |
| FORMULA | C97H131N23O26S4 |
| MOLECULAR WEIGHT (Da) | 2163.5180 |
| ACCURATE MASS (Da) | 2161.8518 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. AA3891 |
| InChIKey | TXYRKTDGDMHVHR-RGIAQYITSA-N |
| InChI | InChI=1S/C97H131N23O26S4/c1-11-50(8)80-96(144)119-79(49(6)7)95(143)117-71(93(141)112-63(32-54-22-16-13-17-23-54)87(135)115-66(97(145)146)34-56-37-99-59-25-19-18-24-58(56)59)46-150-149-45-70-92(140)113-64(35-72(98)123)88(136)114-65-36-73(124)108-69(91(139)110-60(30-47(2)3)83(131)101-41-77(128)118-78(48(4)5)94(142)103-40-75(126)107-67(42-121)90(138)116-70)44-148-147-43-68(109-76(127)38-100-81(129)51(9)104-86(134)62(111-89(65)137)31-53-20-14-12-15-21-53)84(132)102-39-74(125)106-61(33-55-26-28-57(122)29-27-55)85(133)105-52(10)82(130)120-80/h12-29,37,47-52,60-71,78-80,99,121-122H,11,30-36,38-46H2,1-10H3,(H2,98,123)(H,100,129)(H,101,131)(H,102,132)(H,103,142)(H,104,134)(H,105,133)(H,106,125)(H,107,126)(H,108,124)(H,109,127)(H,110,139)(H,111,137)(H,112,141)(H,113,140)(H,114,136)(H,115,135)(H,116,138)(H,117,143)(H,118,128)(H,119,144)(H,120,130)(H,145,146)/t50-,51-,52-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,79+,80-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H]3CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CC5=CC=CC=C5)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)CO)C(C)C)CC(C)C)CC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)O)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tsunakawa M; Hu SL; Hoshino Y; Detlefson DJ; Hill SE; Furumai T; White RJ; Nishio M; Kawano K; Yamamoto S Siamycins I and II, New Anti-HIV Peptides: I. Fermentation, Isolation, Biological Activity and Initial Characterization Journal of Antibiotics 1995 48 (5) 433-434. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.433 | PMID | 7797448 |
