Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033227
PROPERTIES
| NPAID | NPA033227 |
|---|---|
| CLUSTER ID | 9577 |
| NODE ID | 141 |
| NAME | Prunipeptin |
| FORMULA | C73H110N20O29 |
| MOLECULAR WEIGHT (Da) | 1731.7940 |
| ACCURATE MASS (Da) | 1730.7748 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | prunicolor |
| InChIKey | GKHJDWVFCYMLIU-UHFFFAOYSA-N |
| InChI | InChI=1S/C73H110N20O29/c1-31(2)20-42(83-60(107)40(74)17-18-52(103)104)61(108)78-27-51(102)89-54(33(4)95)71(118)93-58(37(8)99)72(119)92-57(36(7)98)70(117)88-48-29-122-53(105)24-46(73(120)121)87-65(112)45-23-49(100)76-19-13-12-16-41(82-66(113)47(28-94)81-50(101)26-77-59(106)32(3)80-68(115)55(34(5)96)91-67(48)114)62(109)90-56(35(6)97)69(116)86-44(22-39-25-75-30-79-39)64(111)84-43(63(110)85-45)21-38-14-10-9-11-15-38/h9-11,14-15,25,30-37,40-48,54-58,94-99H,12-13,16-24,26-29,74H2,1-8H3,(H,75,79)(H,76,100)(H,77,106)(H,78,108)(H,80,115)(H,81,101)(H,82,113)(H,83,107)(H,84,111)(H,85,110)(H,86,116)(H,87,112)(H,88,117)(H,89,102)(H,90,109)(H,91,114)(H,92,119)(H,93,118)(H,103,104)(H,120,121) |
| SMILES | CC(C)CC(NC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1COC(=O)CC(C(=O)O)NC(=O)C2CC(=O)NCCCCC(NC(=O)C(CO)NC(=O)CNC(=O)C(C)NC(=O)C(C(C)O)NC1=O)C(=O)NC(C(C)O)C(=O)NC(CC1=C[NH]C=N1)C(=O)NC(CC1=CC=CC=C1)C(=O)N2)C(C)O)C(C)O)C(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Unno, Kohta; Kodani, Shinya Heterologous expression of cryptic biosynthetic gene cluster from Streptomyces prunicolor yields novel bicyclic peptide prunipeptin Microbiological Research 2021 244 (None) None. | ||
|---|---|---|---|
| DOI | 10.1016/j.micres.2020.126669 | PMID | 33360751 |
