Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002234
PROPERTIES
| NPAID | NPA002234 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin 478-B |
| FORMULA | C40H62ClN9O18S2 |
| MOLECULAR WEIGHT (Da) | 1056.5680 |
| ACCURATE MASS (Da) | 1055.3343 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | SBCCONGDAHGETE-UWMXWBBCSA-N |
| InChI | InChI=1S/C40H62ClN9O18S2/c1-7-19(3)30-39(59)67-21(5)31(48-35(55)28(68-70(63,64)65)18-66-69(60,61)62)36(56)45-24(10-9-15-44-40(42)43)33(53)46-25-12-14-29(52)50(37(25)57)32(20(4)8-2)38(58)49(6)26(34(54)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-52H,7-10,12,14-15,17-18H2,1-6H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)(H,60,61,62)(H,63,64,65)/t19?,20?,21-,24+,25-,26+,28-,29-,30+,31+,32+/m1/s1 |
| SMILES | CCC(C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC(=C(C=C3)O)Cl)C)C(C)CC)O)CCCN=C(N)N)NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ishida, Keishi; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi Micropeptins 478-A and -B, Plasmin Inhibitors from the Cyanobacterium Microcystis aeruginosa Journal of Natural Products 1997 60 (2) 184-187. | ||
|---|---|---|---|
| DOI | 10.1021/np9606815 | PMID | - |
