Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013213
PROPERTIES
| NPAID | NPA013213 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Sungsanpin |
| FORMULA | C77H109N17O20 |
| MOLECULAR WEIGHT (Da) | 1592.8180 |
| ACCURATE MASS (Da) | 1591.8035 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. strain SNJ013 |
| InChIKey | YXOZCEQVMZPWOG-YZZULCRUSA-N |
| InChI | InChI=1S/C77H109N17O20/c1-7-44(6)65-75(111)89-55(34-61(98)80-36-62(99)84-52(31-45-19-10-8-11-20-45)66(102)81-38-64(101)85-57(39-95)71(107)86-50(25-16-17-27-78)76(112)94-28-18-26-60(94)74(110)93-65)70(106)92-58(40-96)72(108)87-53(32-46-21-12-9-13-22-46)67(103)82-37-63(100)83-51(29-42(2)3)68(104)91-59(41-97)73(109)88-54(69(105)90-56(77(113)114)30-43(4)5)33-47-35-79-49-24-15-14-23-48(47)49/h8-15,19-24,35,42-44,50-60,65,79,95-97H,7,16-18,25-34,36-41,78H2,1-6H3,(H,80,98)(H,81,102)(H,82,103)(H,83,100)(H,84,99)(H,85,101)(H,86,107)(H,87,108)(H,88,109)(H,89,111)(H,90,105)(H,91,104)(H,92,106)(H,93,110)(H,113,114)/t44-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@@H](CC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N1)CCCCN)CO)CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Um, Soohyun; Kim, Young-Joo; Kwon, Hyuknam; Wen, He; Kim, Seong-Hwan; Kwon, Hak Cheol; Park, Sunghyouk; Shin, Jongheon; Oh, Dong-Chan Sungsanpin, a lasso peptide from a deep-sea streptomycete Journal of Natural Products 2013 76 (5) 873-879. | ||
|---|---|---|---|
| DOI | 10.1021/np300902g | PMID | 23662937 |
