Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028844
PROPERTIES
| NPAID | NPA028844 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Anacyclamide A20P |
| FORMULA | C92H138N24O27 |
| MOLECULAR WEIGHT (Da) | 2012.2570 |
| ACCURATE MASS (Da) | 2011.0163 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. 90 |
| InChIKey | FWBODVUADDDRLQ-MLSYFBHISA-N |
| InChI | InChI=1S/C92H138N24O27/c1-12-47(8)75-91(142)111-65(42-117)87(138)102-48(9)78(129)112-66(43-118)92(143)116-27-19-25-67(116)88(139)110-61(31-51-35-95-55-22-15-13-20-53(51)55)79(130)98-39-70(123)104-63(33-68(94)121)80(131)99-41-73(126)114-76(49(10)119)89(140)101-40-71(124)103-58(28-44(2)3)82(133)109-64(34-74(127)128)85(136)108-62(32-52-36-96-56-23-16-14-21-54(52)56)84(135)105-57(24-17-18-26-93)81(132)106-59(29-45(4)5)83(134)107-60(30-46(6)7)86(137)115-77(50(11)120)90(141)100-37-69(122)97-38-72(125)113-75/h13-16,20-23,35-36,44-50,57-67,75-77,95-96,117-120H,12,17-19,24-34,37-43,93H2,1-11H3,(H2,94,121)(H,97,122)(H,98,130)(H,99,131)(H,100,141)(H,101,140)(H,102,138)(H,103,124)(H,104,123)(H,105,135)(H,106,132)(H,107,134)(H,108,136)(H,109,133)(H,110,139)(H,111,142)(H,112,129)(H,113,125)(H,114,126)(H,115,137)(H,127,128)/t47-,48-,49+,50+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,75-,76-,77-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC1=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 |
