Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027552
PROPERTIES
| NPAID | NPA027552 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [Asp3, Dha7 ] MC‐YA |
| FORMULA | C47H61N7O13 |
| MOLECULAR WEIGHT (Da) | 932.0410 |
| ACCURATE MASS (Da) | 931.4327 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa BGSD 243 |
| InChIKey | MGAZKNAKSAZXDT-QKQRECLSSA-N |
| InChI | InChI=1S/C47H61N7O13/c1-25(21-26(2)38(67-7)23-31-11-9-8-10-12-31)13-18-34-27(3)41(58)52-35(46(63)64)19-20-39(56)48-28(4)42(59)50-30(6)44(61)53-36(22-32-14-16-33(55)17-15-32)45(62)54-37(47(65)66)24-40(57)49-29(5)43(60)51-34/h8-18,21,26-27,29-30,34-38,55H,4,19-20,22-24H2,1-3,5-7H3,(H,48,56)(H,49,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,62)(H,63,64)(H,65,66)/b18-13+,25-21+/t26-,27-,29-,30+,34-,35+,36-,37+,38-/m0/s1 |
| SMILES | C=C1NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)NC(=O)[C@H](C)NC(=O)C[C@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vasas G; Szydlowska D; Gáspár A; Welker M; Trojanowicz M; Borbély G Determination of microcystins in environmental samples using capillary electrophoresis. Journal of Biochemical and Biophysical Methods 2006 66 (1-3) 87-97. | ||
|---|---|---|---|
| DOI | 10.1016/j.jbbm.2005.12.002 | PMID | 16442634 |
