Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027533
PROPERTIES
| NPAID | NPA027533 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [L-Ser7]MC-EE(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 | RCXSHZJBABBPCQ-XSTWSXKBSA-N |
| InChI | InChI=1S/C47H67N7O17/c1-24(21-25(2)35(70-6)22-29-11-9-8-10-12-29)13-14-30-26(3)40(60)53-33(46(66)67)15-18-36(56)49-34(23-55)45(65)48-28(5)42(62)52-31(16-19-37(57)58)44(64)54-39(47(68)69)27(4)41(61)51-32(43(63)50-30)17-20-38(59)71-7/h8-14,21,25-28,30-35,39,55H,15-20,22-23H2,1-7H3,(H,48,65)(H,49,56)(H,50,63)(H,51,61)(H,52,62)(H,53,60)(H,54,64)(H,57,58)(H,66,67)(H,68,69)/b14-13+,24-21+/t25-,26-,27-,28+,30-,31-,32-,33+,34-,35-,39+/m0/s1 |
| SMILES | COC(=O)CC[C@@H]1NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)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 | - |
