Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010750
PROPERTIES
| NPAID | NPA010750 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin S |
| FORMULA | C40H63N9O14S |
| MOLECULAR WEIGHT (Da) | 926.0600 |
| ACCURATE MASS (Da) | 925.4215 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | LQLBUPVHKUILGJ-LKAQEJCWSA-N |
| InChI | InChI=1S/C40H63N9O14S/c1-7-21(3)30-39(58)63-23(5)31(47-35(54)28(50)20-62-64(59,60)61)36(55)44-25(15-12-18-43-40(41)42)33(52)45-26-16-17-29(51)49(37(26)56)32(22(4)8-2)38(57)48(6)27(34(53)46-30)19-24-13-10-9-11-14-24/h9-11,13-14,21-23,25-32,50-51H,7-8,12,15-20H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)/t21-,22-,23+,25-,26-,27-,28+,29+,30-,31-,32-/m0/s1 |
| SMILES | CC[C@H](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=CC=C3)C)[C@@H](C)CC)O)CCCN=C(N)N)NC(=O)[C@@H](COS(=O)(=O)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jakobi, C; Oberer, L; Quiquerez, C; König, W A; Weckesser, J Cyanopeptolin S, a sulfate-containing depsipeptide from a water bloom of Microcystis sp FEMS Microbiology Letters 1995 129 (2-3) 129-133. | ||
|---|---|---|---|
| DOI | 10.1016/0378-1097(95)00146-v | PMID | 7607393 |
