Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009762
PROPERTIES
| NPAID | NPA009762 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Lyngbyastatin 4 |
| FORMULA | C53H68N8O18S |
| MOLECULAR WEIGHT (Da) | 1137.2320 |
| ACCURATE MASS (Da) | 1136.4372 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | confervoides |
| InChIKey | QVBXBGIPSMEBEL-RNXFLSOQSA-N |
| InChI | InChI=1S/C53H68N8O18S/c1-7-36-46(67)57-38-23-24-42(65)61(51(38)72)40(26-32-11-9-8-10-12-32)52(73)60(6)39(25-33-15-20-35(63)21-16-33)48(69)58-43(28(2)3)53(74)79-30(5)44(50(71)55-36)59-47(68)37(22-17-31-13-18-34(62)19-14-31)56-45(66)29(4)54-49(70)41(64)27-78-80(75,76)77/h7-16,18-21,28-30,37-44,62-65H,17,22-27H2,1-6H3,(H,54,70)(H,55,71)(H,56,66)(H,57,67)(H,58,69)(H,59,68)(H,75,76,77)/b36-7-/t29-,30+,37-,38-,39-,40-,41+,42+,43-,44-/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)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Matthew, Susan; Ross, Cliff; Rocca, James R.; Paul, Valerie J.; Luesch, Hendrik Lyngbyastatin 4, a dolastatin 13 analogue with elastase and chymotrypsin inhibitory activity from the marine cyanobacterium Lyngbya confervoides Journal of Natural Products 2007 70 (1) 124-127. | ||
|---|---|---|---|
| DOI | 10.1021/np060471k | PMID | 17253864 |
