Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028745
PROPERTIES
| NPAID | NPA028745 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-Phe1]MC‐LR |
| FORMULA | C55H78N10O12 |
| MOLECULAR WEIGHT (Da) | 1071.2870 |
| ACCURATE MASS (Da) | 1070.5801 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Phormidium |
| ORIGIN SPECIES | sp. DVL1003c |
| InChIKey | WSMOZMQKQAHELG-LONBYMFTSA-N |
| InChI | InChI=1S/C55H78N10O12/c1-31(2)27-42-52(72)64-46(54(75)76)35(6)48(68)60-40(21-16-26-58-55(56)57)50(70)59-39(23-22-32(3)28-33(4)44(77-9)30-38-19-14-11-15-20-38)34(5)47(67)61-41(53(73)74)24-25-45(66)65(8)36(7)49(69)62-43(51(71)63-42)29-37-17-12-10-13-18-37/h10-15,17-20,22-23,28,31,33-35,39-44,46H,7,16,21,24-27,29-30H2,1-6,8-9H3,(H,59,70)(H,60,68)(H,61,67)(H,62,69)(H,63,71)(H,64,72)(H,73,74)(H,75,76)(H4,56,57,58)/b23-22+,32-28+/t33-,34-,35-,39-,40-,41+,42-,43+,44-,46+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)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 |
