Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027374
PROPERTIES
| NPAID | NPA027374 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Sphaerocyclamide |
| FORMULA | C46H63N9O11 |
| MOLECULAR WEIGHT (Da) | 918.0620 |
| ACCURATE MASS (Da) | 917.4647 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sphaerospermopsis |
| ORIGIN SPECIES | lEGE 00249 |
| InChIKey | JKBXTXMXBDJJQA-SJHSMXDOSA-N |
| InChI | InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1 |
| SMILES | CC(C)=CCOC1=CC=C(C[C@@H]2NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)NC2=O)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Martins J; Leikoski N; Wahlsten M; Azevedo J; Antunes J; Jokela J; Sivonen K; Vasconcelos V; Fewer DP; Leão PN Sphaerocyclamide, a prenylated cyanobactin from the cyanobacterium Sphaerospermopsis sp. LEGE 00249. Scientific Reports 2018 8 (1) 14537. | ||
|---|---|---|---|
| DOI | 10.1038/s41598-018-32618-5 | PMID | 30266955 |
