Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005435842 | Bronze | Dereplicator&Identification&-&Schizopeptin_791 |
COMPOUND NPA019663
PROPERTIES
| NPAID | NPA019663 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Schizopeptin 791 |
| FORMULA | C42H61N7O8 |
| MOLECULAR WEIGHT (Da) | 791.9910 |
| ACCURATE MASS (Da) | 791.4582 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Schizothrix |
| ORIGIN SPECIES | sp. |
| InChIKey | UHGIIADZWWCEKS-NDSQDYTJSA-N |
| InChI | InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N1)NC(=O)N[C@@H]([C@@H](C)CC)C(=O)O)CC2=CC=CC=C2)C)C)CCC3=CC=CC=C3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Reshef, Vered; Carmeli, Shmuel Schizopeptin 791, a new anabeanopeptin-like cyclic peptide from the cyanobacterium Schizothrix sp Journal of Natural Products 2002 65 (8) 1187-1189. | ||
|---|---|---|---|
| DOI | 10.1021/np020039c | PMID | 12193029 |
