Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027531
PROPERTIES
| NPAID | NPA027531 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-Asp3,Dha7]MC-E(OMe)E(OMe) |
| FORMULA | C47H65N7O16 |
| MOLECULAR WEIGHT (Da) | 984.0700 |
| ACCURATE MASS (Da) | 983.4488 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp.186 |
| InChIKey | HWVHMIUFTWETCB-NPBCHJBDSA-N |
| InChI | InChI=1S/C47H65N7O16/c1-25(22-26(2)36(68-6)23-30-12-10-9-11-13-30)14-15-31-27(3)41(59)53-34(46(64)65)16-19-37(55)48-28(4)42(60)49-29(5)43(61)52-33(18-21-40(58)70-8)45(63)54-35(47(66)67)24-38(56)50-32(44(62)51-31)17-20-39(57)69-7/h9-15,22,26-27,29,31-36H,4,16-21,23-24H2,1-3,5-8H3,(H,48,55)(H,49,60)(H,50,56)(H,51,62)(H,52,61)(H,53,59)(H,54,63)(H,64,65)(H,66,67)/b15-14+,25-22+/t26-,27-,29+,31-,32-,33-,34+,35+,36-/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](CCC(=O)OC)NC(=O)C[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Namikoshi, M; Yuan, M; Sivonen, K; Carmichael, W. W; Rinehart, K. L; Rouhiainen, L; Sun, F; Brittain, S; Otsuki A. Seven New Microcystins Possessing Two l-Glutamic Acid Units, Isolated from Anabaena sp. Strain 186 Chemical Research in Toxicology 1998 11 (2) 143-149. | ||
|---|---|---|---|
| DOI | 10.1021/tx970120t | PMID | - |
