Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028742
PROPERTIES
| NPAID | NPA028742 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-Leu1]MC‐HilR |
| FORMULA | C53H82N10O12 |
| MOLECULAR WEIGHT (Da) | 1051.2970 |
| ACCURATE MASS (Da) | 1050.6114 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Phormidium |
| ORIGIN SPECIES | sp. DVL1003c |
| InChIKey | YDQPVIVPYIKYPZ-FRZRWRADSA-N |
| InChI | InChI=1S/C53H82N10O12/c1-12-30(4)27-41-50(70)62-44(52(73)74)34(8)46(66)58-38(19-16-24-56-53(54)55)48(68)57-37(21-20-31(5)26-32(6)42(75-11)28-36-17-14-13-15-18-36)33(7)45(65)59-39(51(71)72)22-23-43(64)63(10)35(9)47(67)60-40(25-29(2)3)49(69)61-41/h13-15,17-18,20-21,26,29-30,32-34,37-42,44H,9,12,16,19,22-25,27-28H2,1-8,10-11H3,(H,57,68)(H,58,66)(H,59,65)(H,60,67)(H,61,69)(H,62,70)(H,71,72)(H,73,74)(H4,54,55,56)/b21-20+,31-26+/t30-,32-,33-,34-,37-,38-,39+,40+,41-,42-,44+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shishido TK; Kaasalainen U; Fewer DP; Rouhiainen L; Jokela J; Wahlsten M; Fiore MF; Yunes JS; Rikkinen J; Sivonen K Convergent evolution of [D-Leucine(1)] microcystin-LR in taxonomically disparate cyanobacteria. BMC Evolutionary Biology 2013 13 86. | ||
|---|---|---|---|
| DOI | 10.1186/1471-2148-13-86 | PMID | 23601305 |
