Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024798
PROPERTIES
| NPAID | NPA024798 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin K139 |
| FORMULA | C47H74N10O13 |
| MOLECULAR WEIGHT (Da) | 987.1660 |
| ACCURATE MASS (Da) | 986.5437 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa strain K-139 |
| InChIKey | ROTFFYYCARWRHQ-NHLUBFEDSA-N |
| InChI | InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31?,32-,33-,35?,37-,38+,39-/m0/s1 |
| SMILES | CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCN=C(N)N)O)[C@H](C)CC)C)CC3=CC=C(C=C3)O)[C@@H](C)CC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Harada K; Ogawa K; Matsuura K; Nagai H; Murata H; Suzuki M; Itezono Y; Nakayama N; Shirai M; Nakano M Isolation of two toxic heptapeptide microcystins from an axenic strain of Microcystis aeruginosa, K-139. Toxicon 1991 29 (4-5) 479-489. | ||
|---|---|---|---|
| DOI | 10.1016/0041-0101(91)90022-j | PMID | 1907412 |
