Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014363
PROPERTIES
| NPAID | NPA014363 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Stigonemapeptin |
| FORMULA | C48H63N9O13 |
| MOLECULAR WEIGHT (Da) | 974.0820 |
| ACCURATE MASS (Da) | 973.4545 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Stigonema |
| ORIGIN SPECIES | sp. |
| InChIKey | AYAWUVIENREIOR-JPANMKSKSA-N |
| InChI | InChI=1S/C48H63N9O13/c1-6-31-41(62)52-33-19-21-38(61)57(46(33)67)36(24-28-11-8-7-9-12-28)47(68)55(5)35(23-29-14-16-30(59)17-15-29)44(65)53-39(26(2)3)48(69)70-27(4)40(45(66)50-31)54-42(63)32(18-20-37(49)60)51-43(64)34-13-10-22-56(34)25-58/h6-9,11-12,14-17,25-27,32-36,38-40,59,61H,10,13,18-24H2,1-5H3,(H2,49,60)(H,50,66)(H,51,64)(H,52,62)(H,53,65)(H,54,63)/b31-6+/t27-,32+,33+,34+,35+,36+,38-,39+,40+/m1/s1 |
| SMILES | C/C=C/1\C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C=O)C)C(C)C)CC4=CC=C(C=C4)O)C)CC5=CC=CC=C5)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kang, Hahk-Soo; Krunic, Aleksej; Orjala, Jimmy Stigonemapeptin, an Ahp-containing depsipeptide with elastase inhibitory activity from the bloom-forming freshwater cyanobacterium Stigonema sp Journal of Natural Products 2012 75 (4) 807-811. | ||
|---|---|---|---|
| DOI | 10.1021/np300150h | PMID | 22483033 |
