Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027534
PROPERTIES
| NPAID | NPA027534 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-Asp3,Ser7]MC-E(OMe)E(OMe) |
| FORMULA | C47H67N7O17 |
| MOLECULAR WEIGHT (Da) | 1002.0850 |
| ACCURATE MASS (Da) | 1001.4593 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp.186 |
| InChIKey | ZPWBUZCVOZVOLS-FTHMBYDKSA-N |
| InChI | InChI=1S/C47H67N7O17/c1-25(21-26(2)36(69-5)22-29-11-9-8-10-12-29)13-14-30-27(3)41(60)53-33(46(65)66)15-18-37(56)50-35(24-55)45(64)48-28(4)42(61)52-32(17-20-40(59)71-7)44(63)54-34(47(67)68)23-38(57)49-31(43(62)51-30)16-19-39(58)70-6/h8-14,21,26-28,30-36,55H,15-20,22-24H2,1-7H3,(H,48,64)(H,49,57)(H,50,56)(H,51,62)(H,52,61)(H,53,60)(H,54,63)(H,65,66)(H,67,68)/b14-13+,25-21+/t26-,27-,28+,30-,31-,32-,33+,34+,35-,36-/m0/s1 |
| SMILES | COC(=O)CC[C@@H]1NC(=O)C[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=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)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 | - |
