Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018235
PROPERTIES
| NPAID | NPA018235 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Lyngbyastatin 6 |
| FORMULA | C54H70N8O18S |
| MOLECULAR WEIGHT (Da) | 1151.2590 |
| ACCURATE MASS (Da) | 1150.4529 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | MSJHPEKZCVVYTI-VIXCIGPQSA-N |
| InChI | InChI=1S/C54H70N8O18S/c1-8-37-47(67)58-39-24-25-43(78-7)62(52(39)72)41(27-33-12-10-9-11-13-33)53(73)61(6)40(26-34-16-21-36(64)22-17-34)49(69)59-44(29(2)3)54(74)80-31(5)45(51(71)56-37)60-48(68)38(23-18-32-14-19-35(63)20-15-32)57-46(66)30(4)55-50(70)42(65)28-79-81(75,76)77/h8-17,19-22,29-31,38-45,63-65H,18,23-28H2,1-7H3,(H,55,70)(H,56,71)(H,57,66)(H,58,67)(H,59,69)(H,60,68)(H,75,76,77)/b37-8-/t30-,31+,38-,39-,40-,41-,42+,43+,44-,45-/m0/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](CCC3=CC=C(C=C3)O)NC(=O)[C@H](C)NC(=O)[C@@H](COS(=O)(=O)O)O)C)C(C)C)CC4=CC=C(C=C4)O)C)CC5=CC=CC=C5)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Taori, Kanchan; Matthew, Susan; Rocca, James R.; Paul, Valerie J.; Luesch, Hendrik Lyngbyastatins 5-7, potent elastase inhibitors from Floridian marine cyanobacteria, Lyngbya spp Journal of Natural Products 2007 70 (10) 1593-1600. | ||
|---|---|---|---|
| DOI | 10.1021/np0702436 | PMID | 17910513 |
