Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033077
PROPERTIES
| NPAID | NPA033077 |
|---|---|
| CLUSTER ID | 9539 |
| NODE ID | 141 |
| NAME | Stlassin |
| FORMULA | C84H117N19O19 |
| MOLECULAR WEIGHT (Da) | 1696.9740 |
| ACCURATE MASS (Da) | 1695.8773 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. PKU- MA01240 |
| InChIKey | OWYJGJDERIGZOT-OEWGAXMZSA-N |
| InChI | InChI=1S/C84H117N19O19/c1-13-45(10)70-82(119)101-67(42(4)5)79(116)94-55(29-30-63(85)104)72(109)90-46(11)71(108)95-60(37-65(106)92-56(32-41(2)3)77(114)99-68(43(6)7)80(117)100-69(44(8)9)81(118)102-70)76(113)96-58(35-50-39-88-54-27-20-18-25-52(50)54)75(112)97-59(36-64(86)105)73(110)91-47(12)83(120)103-31-21-28-62(103)78(115)89-40-66(107)93-57(34-49-38-87-53-26-19-17-24-51(49)53)74(111)98-61(84(121)122)33-48-22-15-14-16-23-48/h14-20,22-27,38-39,41-47,55-62,67-70,87-88H,13,21,28-37,40H2,1-12H3,(H2,85,104)(H2,86,105)(H,89,115)(H,90,109)(H,91,110)(H,92,106)(H,93,107)(H,94,116)(H,95,108)(H,96,113)(H,97,112)(H,98,111)(H,99,114)(H,100,117)(H,101,119)(H,102,118)(H,121,122)/t45-,46-,47-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-,70-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Tan; Ma, Xiaojie; Yu, Jiahui; Yang, Wensheng; Wang, Guiyang; Wang, Zhengdong; Ge, Yuanjie; Song, Juan; Han, Hua; Zhang, Wen; Yang, Donghui; Liu, Xuehui; Ma, Ming Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chemical Science 2021 12 (37) 12353-12364. | ||
|---|---|---|---|
| DOI | 10.1039/d1sc02695j | PMID | - |
