Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007971
PROPERTIES
| NPAID | NPA007971 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | anabaenopeptin DA850 |
| FORMULA | C42H62N10O9 |
| MOLECULAR WEIGHT (Da) | 851.0190 |
| ACCURATE MASS (Da) | 850.4701 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | RAUPUVQHUFXDQT-IYLLGVDMSA-N |
| InChI | InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26-,30+,31-,32-,33-,34-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Adiv, Simi; Carmeli, Shmuel Protease inhibitors from Microcystis aeruginosa bloom material collected from the dalton reservoir, israel Journal of Natural Products 2013 76 (12) 2307-2315. | ||
|---|---|---|---|
| DOI | 10.1021/np4006844 | PMID | 24261937 |
