Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027565
PROPERTIES
| NPAID | NPA027565 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [L-Ser7]MC-RR |
| FORMULA | C48H75N13O13 |
| MOLECULAR WEIGHT (Da) | 1042.2060 |
| ACCURATE MASS (Da) | 1041.5607 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. 202 A1 |
| InChIKey | OYVAKSWRYSRRKU-LLELUXQJSA-N |
| InChI | InChI=1S/C48H75N13O13/c1-25(22-26(2)36(74-6)23-30-12-8-7-9-13-30)16-17-31-27(3)39(64)60-34(45(70)71)18-19-37(63)56-35(24-62)44(69)55-29(5)41(66)59-33(15-11-21-54-48(51)52)43(68)61-38(46(72)73)28(4)40(65)58-32(42(67)57-31)14-10-20-53-47(49)50/h7-9,12-13,16-17,22,26-29,31-36,38,62H,10-11,14-15,18-21,23-24H2,1-6H3,(H,55,69)(H,56,63)(H,57,67)(H,58,65)(H,59,66)(H,60,64)(H,61,68)(H,70,71)(H,72,73)(H4,49,50,53)(H4,51,52,54)/b17-16+,25-22+/t26-,27-,28-,29+,31-,32-,33-,34+,35-,36-,38+/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](CCCN=C(N)N)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 |
