Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027535
PROPERTIES
| NPAID | NPA027535 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [L-Ser7]MC-E(OMe)E(OMe) |
| FORMULA | C48H69N7O17 |
| MOLECULAR WEIGHT (Da) | 1016.1120 |
| ACCURATE MASS (Da) | 1015.4750 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp.186 |
| InChIKey | AMOBUNZQEUJLCJ-WBINVAHYSA-N |
| InChI | InChI=1S/C48H69N7O17/c1-25(22-26(2)36(70-6)23-30-12-10-9-11-13-30)14-15-31-27(3)41(60)54-34(47(66)67)16-19-37(57)50-35(24-56)46(65)49-29(5)43(62)53-33(18-21-39(59)72-8)45(64)55-40(48(68)69)28(4)42(61)52-32(44(63)51-31)17-20-38(58)71-7/h9-15,22,26-29,31-36,40,56H,16-21,23-24H2,1-8H3,(H,49,65)(H,50,57)(H,51,63)(H,52,61)(H,53,62)(H,54,60)(H,55,64)(H,66,67)(H,68,69)/b15-14+,25-22+/t26-,27-,28-,29+,31-,32-,33-,34+,35-,36-,40+/m0/s1 |
| SMILES | COC(=O)CC[C@@H]1NC(=O)[C@@H](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 | - |
