Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028843
PROPERTIES
| NPAID | NPA028843 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Anacyclamide A15G |
| FORMULA | C79H107N19O23 |
| MOLECULAR WEIGHT (Da) | 1690.8350 |
| ACCURATE MASS (Da) | 1689.7787 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. 90 |
| InChIKey | UEQHWHLUDMRVAA-MGRDNXCQSA-N |
| InChI | InChI=1S/C79H107N19O23/c1-5-41(2)65-76(118)83-39-62(104)88-52(32-45-18-22-48(100)23-19-45)71(113)91-55(35-63(105)106)72(114)89-51(26-27-60(81)102)69(111)94-57(36-64(107)108)79(121)98-30-12-17-59(98)75(117)96-66(43(4)99)77(119)84-38-61(103)87-50(15-9-10-28-80)68(110)93-56(33-46-20-24-49(101)25-21-46)78(120)97-29-11-16-58(97)74(116)92-54(34-47-37-82-40-85-47)70(112)86-42(3)67(109)90-53(73(115)95-65)31-44-13-7-6-8-14-44/h6-8,13-14,18-25,37,40-43,50-59,65-66,99-101H,5,9-12,15-17,26-36,38-39,80H2,1-4H3,(H2,81,102)(H,82,85)(H,83,118)(H,84,119)(H,86,112)(H,87,103)(H,88,104)(H,89,114)(H,90,109)(H,91,113)(H,92,116)(H,93,110)(H,94,111)(H,95,115)(H,96,117)(H,105,106)(H,107,108)/t41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-,66-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CN=C[NH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CNC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Leikoski N; Fewer DP; Jokela J; Wahlsten M; Rouhiainen L; Sivonen K Highly diverse cyanobactins in strains of the genus Anabaena. Applied and Environmental Microbiology 2010 76 (3) 701-709. | ||
|---|---|---|---|
| DOI | 10.1128/AEM.01061-09 | PMID | 20008171 |
