Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028706
PROPERTIES
| NPAID | NPA028706 |
|---|---|
| CLUSTER ID | 2347 |
| NODE ID | 141 |
| NAME | Microviridin K |
| FORMULA | C83H103N17O25S |
| MOLECULAR WEIGHT (Da) | 1770.8980 |
| ACCURATE MASS (Da) | 1769.7032 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | agardhii |
| InChIKey | FNVONONIUIBRLO-KSAWYIFTSA-N |
| InChI | InChI=1S/C83H103N17O25S/c1-42-70(99-78(117)59(37-65(84)105)89-67(107)40-87-71(110)57(88-43(2)101)33-44-13-19-48(102)20-14-44)81(120)93-56(29-32-126-3)75(114)90-53-11-6-7-30-85-66(106)27-25-54(74(113)97-62(83(122)123)35-46-17-23-50(104)24-18-46)91-73(112)55-26-28-68(108)124-41-63(98-80(119)64-12-8-31-100(64)82(121)61(96-72(53)111)34-45-15-21-49(103)22-16-45)79(118)95-60(38-69(109)125-42)77(116)94-58(76(115)92-55)36-47-39-86-52-10-5-4-9-51(47)52/h4-5,9-10,13-24,39,42,53-64,70,86,102-104H,6-8,11-12,25-38,40-41H2,1-3H3,(H2,84,105)(H,85,106)(H,87,110)(H,88,101)(H,89,107)(H,90,114)(H,91,112)(H,92,115)(H,93,120)(H,94,116)(H,95,118)(H,96,111)(H,97,113)(H,98,119)(H,99,117)(H,122,123)/t42-,53+,54-,55-,56-,57+,58-,59+,60-,61+,62+,63-,64-,70-/m0/s1 |
| SMILES | CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(C)=O)[C@H](C)OC(=O)C[C@@H]2NC(=O)[C@@H]3COC(=O)CC[C@H](NC(=O)[C@H](CC4=CNC5=CC=CC=C45)NC2=O)C(=O)N[C@H](C(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)O)CCC(=O)NCCCC[C@@H](NC1=O)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Philmus B; Christiansen G; Yoshida WY; Hemscheidt TK Post-translational modification in microviridin biosynthesis. ChemBioChem 2008 9 (18) 3066-3073. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.200800560 | PMID | 19035375 |
