Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008346
PROPERTIES
| NPAID | NPA008346 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Prenylagaramide A |
| FORMULA | C54H68N10O14 |
| MOLECULAR WEIGHT (Da) | 1081.1940 |
| ACCURATE MASS (Da) | 1080.4916 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | agardhii (NIES-205) and O. agardhii (NIES-596) |
| InChIKey | LXDPLRBOMKUKGF-DEOTVAGQSA-N |
| InChI | InChI=1S/C54H68N10O14/c1-31(2)22-24-78-36-18-16-35(17-19-36)27-38-48(71)56-30-45(68)63-47(32(3)65)53(76)57-29-44(67)58-37(20-21-46(69)70)49(72)59-39(25-33-11-6-4-7-12-33)50(73)60-40(26-34-13-8-5-9-14-34)51(74)62-41(28-43(55)66)54(77)64-23-10-15-42(64)52(75)61-38/h4-9,11-14,16-19,22,32,37-42,47,65H,10,15,20-21,23-30H2,1-3H3,(H2,55,66)(H,56,71)(H,57,76)(H,58,67)(H,59,72)(H,60,73)(H,61,75)(H,62,74)(H,63,68)(H,69,70)/t32-,37+,38+,39+,40+,41+,42+,47+/m1/s1 |
| SMILES | C[C@H]([C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N1)CC3=CC=C(C=C3)OCC=C(C)C)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CCC(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Murakami, Masahiro; Itou, Yusai; Ishida, Keishi; Shin, Hee Jae Prenylagaramides A and B, New Cyclic Peptides from Two Strains of Oscillatoria agardhii Journal of Natural Products 1999 62 (5) 752-755. | ||
|---|---|---|---|
| DOI | 10.1021/np980396g | PMID | 10346961 |
