Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006243
PROPERTIES
| NPAID | NPA006243 |
|---|---|
| CLUSTER ID | 2347 |
| NODE ID | 141 |
| NAME | Microviridin D |
| FORMULA | C84H107N17O26S |
| MOLECULAR WEIGHT (Da) | 1802.9400 |
| ACCURATE MASS (Da) | 1801.7294 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | YEJXJFKDCRKSRQ-GWDSGTEWSA-N |
| InChI | InChI=1S/C84H107N17O26S/c1-43-71(100-79(119)60(38-66(85)107)90-68(109)41-88-72(112)58(89-44(2)103)34-45-14-20-49(104)21-15-45)82(122)94-57(30-33-128-4)76(116)91-54-12-7-8-31-86-67(108)28-26-55(75(115)98-63(84(124)125)36-47-18-24-51(106)25-19-47)92-74(114)56(27-29-69(110)126-3)93-77(117)59(37-48-40-87-53-11-6-5-10-52(48)53)95-78(118)61(39-70(111)127-43)96-80(120)64(42-102)99-81(121)65-13-9-32-101(65)83(123)62(97-73(54)113)35-46-16-22-50(105)23-17-46/h5-6,10-11,14-25,40,43,54-65,71,87,102,104-106H,7-9,12-13,26-39,41-42H2,1-4H3,(H2,85,107)(H,86,108)(H,88,112)(H,89,103)(H,90,109)(H,91,116)(H,92,114)(H,93,117)(H,94,122)(H,95,118)(H,96,120)(H,97,113)(H,98,115)(H,99,121)(H,100,119)(H,124,125)/t43-,54+,55+,56-,57+,58+,59+,60+,61+,62+,63+,64+,65+,71+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)CC[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=CNC6=CC=CC=C65)CCC(=O)OC)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)O)CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC8=CC=C(C=C8)O)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 | - |
