Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019524
PROPERTIES
| NPAID | NPA019524 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Oscillapeptilide 97-A |
| FORMULA | C53H75N9O13 |
| MOLECULAR WEIGHT (Da) | 1046.2330 |
| ACCURATE MASS (Da) | 1045.5484 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | agardhii |
| InChIKey | FQTOZJUPMXZERB-HYOFZHFKSA-N |
| InChI | InChI=1S/C53H75N9O13/c1-9-30(4)44-53(73)75-31(5)45(59-46(66)36(21-23-42(54)64)55-48(68)39-16-13-25-61(39)32(6)63)50(70)57-38(26-29(2)3)47(67)56-37-22-24-43(65)62(51(37)71)41(28-33-14-11-10-12-15-33)52(72)60(7)40(49(69)58-44)27-34-17-19-35(74-8)20-18-34/h10-12,14-15,17-20,29-31,36-41,43-45,65H,9,13,16,21-28H2,1-8H3,(H2,54,64)(H,55,68)(H,56,67)(H,57,70)(H,58,69)(H,59,66)/t30-,31+,36-,37-,38-,39-,40-,41-,43+,44-,45-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=C(C=C3)OC)C)CC4=CC=CC=C4)O)CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)C)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 | - |
