Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010623
PROPERTIES
| NPAID | NPA010623 |
|---|---|
| CLUSTER ID | 2347 |
| NODE ID | 141 |
| NAME | Microviridin E |
| FORMULA | C82H100N14O25 |
| MOLECULAR WEIGHT (Da) | 1681.7750 |
| ACCURATE MASS (Da) | 1680.6984 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | QDZJROXCJYRFCT-GJAORIDRSA-N |
| InChI | InChI=1S/C82H100N14O25/c1-44-69(95-78(114)64(43-98)93-72(108)56(84-45(2)99)35-46-13-6-4-7-14-46)80(116)90-58(37-48-19-25-51(100)26-20-48)74(110)85-54-17-10-11-33-83-66(103)40-59(75(111)92-62(82(118)119)39-50-23-29-53(102)30-24-50)88-71(107)55(31-32-67(104)120-3)86-73(109)57(36-47-15-8-5-9-16-47)87-76(112)60(41-68(105)121-44)89-77(113)63(42-97)94-79(115)65-18-12-34-96(65)81(117)61(91-70(54)106)38-49-21-27-52(101)28-22-49/h4-9,13-16,19-30,44,54-65,69,97-98,100-102H,10-12,17-18,31-43H2,1-3H3,(H,83,103)(H,84,99)(H,85,110)(H,86,109)(H,87,112)(H,88,107)(H,89,113)(H,90,116)(H,91,106)(H,92,111)(H,93,108)(H,94,115)(H,95,114)(H,118,119)/t44-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,69+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O1)NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC2=O)CC4=CC=C(C=C4)O)CO)CC5=CC=CC=C5)CCC(=O)OC)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O)CC7=CC=C(C=C7)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shin, Hee Jae; Murakami, Masahiro; Matsuda, Hisashi; Yamaguchi, Katsumi Microviridins D-F, serine protease inhibitors from the cyanobacterium Oscillatoria agardhii (NIES-204) Tetrahedron 1996 52 (24) 8159-8168. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4020(96)00377-8 | PMID | - |
