Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004541
PROPERTIES
| NPAID | NPA004541 |
|---|---|
| CLUSTER ID | 2347 |
| NODE ID | 141 |
| NAME | Microviridin I |
| FORMULA | C86H108N16O25 |
| MOLECULAR WEIGHT (Da) | 1765.8970 |
| ACCURATE MASS (Da) | 1764.7672 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | agardhii |
| InChIKey | QIXNFZOBUNPVTK-GSCVQPRKSA-N |
| InChI | InChI=1S/C86H108N16O25/c1-43(2)34-58-75(113)90-56-14-8-9-31-87-68(108)39-60(77(115)97-64(86(124)125)37-49-21-27-53(107)28-22-49)93-74(112)57-29-30-69(109)126-42-65(98-80(118)66-15-10-32-101(66)85(123)63(96-73(56)111)36-48-19-25-52(106)26-20-48)79(117)94-61(78(116)92-59(76(114)91-57)38-50-41-88-55-13-7-6-12-54(50)55)40-70(110)127-45(4)72(83(121)95-58)100-82(120)71(44(3)103)99-81(119)67-16-11-33-102(67)84(122)62(89-46(5)104)35-47-17-23-51(105)24-18-47/h6-7,12-13,17-28,41,43-45,56-67,71-72,88,103,105-107H,8-11,14-16,29-40,42H2,1-5H3,(H,87,108)(H,89,104)(H,90,113)(H,91,114)(H,92,116)(H,93,112)(H,94,117)(H,95,121)(H,96,111)(H,97,115)(H,98,118)(H,99,119)(H,100,120)(H,124,125)/t44-,45-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67-,71+,72+/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]3CCC(=O)OC[C@@H](C(=O)N[C@@H](CC(=O)O1)C(=O)N[C@H](C(=O)N3)CC4=CNC5=CC=CC=C54)NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC2=O)CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)O)CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fujii, Kiyonaga; Sivonen, Kaarina; Naganawa, Emiko; Harada, Ken-ichi Non-Toxic Peptides from Toxic Cyanobacteria, Oscillatoria agardhii Tetrahedron 2000 56 (5) 725-733. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(99)01017-0 | PMID | - |
