Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000938
PROPERTIES
| NPAID | NPA000938 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [L-Homoarginine2]nodularin |
| FORMULA | C42H62N8O10 |
| MOLECULAR WEIGHT (Da) | 839.0040 |
| ACCURATE MASS (Da) | 838.4589 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nodularia |
| ORIGIN SPECIES | sp PCC 7804 |
| InChIKey | YCFHEUGHSRSOFR-LTNJPURBSA-N |
| InChI | InChI=1S/C42H62N8O10/c1-8-32-39(55)49-35(41(58)59)27(5)37(53)47-30(16-12-13-21-45-42(43)44)38(54)46-29(26(4)36(52)48-31(40(56)57)19-20-34(51)50(32)6)18-17-24(2)22-25(3)33(60-7)23-28-14-10-9-11-15-28/h8-11,14-15,17-18,22,25-27,29-31,33,35H,12-13,16,19-21,23H2,1-7H3,(H,46,54)(H,47,53)(H,48,52)(H,49,55)(H,56,57)(H,58,59)(H4,43,44,45)/b18-17+,24-22+,32-8-/t25-,26-,27-,29-,30-,31+,33-,35+/m0/s1 |
| SMILES | C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCCN=C(N)N)C)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Beattie, Kenneth A.; Kaya, Kunimitsu; Codd, Geoffrey A. The cyanobacterium Nodularia PCC 7804, of freshwater origin, produces [L-Har2]nodularin Phytochemistry 2000 54 (1) 57-61. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(00)00045-5 | PMID | - |
