Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027564
PROPERTIES
| NPAID | NPA027564 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [L-Ser7]MC-LR |
| FORMULA | C48H74N10O13 |
| MOLECULAR WEIGHT (Da) | 999.1770 |
| ACCURATE MASS (Da) | 998.5437 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. 202 A1 |
| InChIKey | PWCXBLSMFHTSOU-GUMWKJIBSA-N |
| InChI | InChI=1S/C48H74N10O13/c1-25(2)21-35-44(65)58-39(47(69)70)29(6)41(62)55-33(15-12-20-51-48(49)50)43(64)54-32(17-16-26(3)22-27(4)37(71-8)23-31-13-10-9-11-14-31)28(5)40(61)56-34(46(67)68)18-19-38(60)53-36(24-59)45(66)52-30(7)42(63)57-35/h9-11,13-14,16-17,22,25,27-30,32-37,39,59H,12,15,18-21,23-24H2,1-8H3,(H,52,66)(H,53,60)(H,54,64)(H,55,62)(H,56,61)(H,57,63)(H,58,65)(H,67,68)(H,69,70)(H4,49,50,51)/b17-16+,26-22+/t27-,28-,29-,30+,32-,33-,34+,35-,36-,37-,39+/m0/s1 |
| SMILES | CO[C@@H](CC1=CC=CC=C1)[C@@H](C)/C=C(C)/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Namikoshi M; Sivonen K; Evans WR; Carmichael WW; Sun F; Rouhiainen L; Luukkainen R; Rinehart KL Two new L-serine variants of microcystins-LR and -RR from Anabaena sp. strains 202 A1 and 202 A2. Toxicon 1992 30 (11) 1457-1464. | ||
|---|---|---|---|
| DOI | 10.1016/0041-0101(92)90521-6 | PMID | 1485340 |
