Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004845
PROPERTIES
| NPAID | NPA004845 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin E |
| FORMULA | C42H62N10O9 |
| MOLECULAR WEIGHT (Da) | 851.0190 |
| ACCURATE MASS (Da) | 850.4701 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | agardhii (NIES-204) |
| InChIKey | BSKBLBJGHGFEGG-QNPMSKHESA-N |
| InChI | InChI=1S/C42H62N10O9/c1-24(2)34-38(57)47-30(18-16-28-17-19-33(53)25(3)22-28)39(58)52(5)26(4)35(54)48-32(23-27-12-7-6-8-13-27)36(55)45-20-10-9-14-29(37(56)51-34)49-42(61)50-31(40(59)60)15-11-21-46-41(43)44/h6-8,12-13,17,19,22,24,26,29-32,34,53H,9-11,14-16,18,20-21,23H2,1-5H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t26-,29+,30-,31+,32-,34-/m0/s1 |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)CCC2=CC(=C(C=C2)O)C)C(C)C)NC(=O)N[C@H](CCCN=C(N)N)C(=O)O)CC3=CC=CC=C3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shin, Hee Jae; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi Anabaenopeptins E and F, Two New Cyclic Peptides from the Cyanobacterium Oscillatoria agardhii (NIES-204) Journal of Natural Products 1997 60 (2) 139-141. | ||
|---|---|---|---|
| DOI | 10.1021/np960597p | PMID | - |
