Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028746
PROPERTIES
| NPAID | NPA028746 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-Leu1]MC-RR |
| FORMULA | C52H81N13O12 |
| MOLECULAR WEIGHT (Da) | 1080.2990 |
| ACCURATE MASS (Da) | 1079.6128 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Phormidium |
| ORIGIN SPECIES | sp. DVL1003c |
| InChIKey | BMULUGRVOLWIKI-AHYMVQLDSA-N |
| InChI | InChI=1S/C52H81N13O12/c1-28(2)25-39-48(72)61-37(18-14-24-58-52(55)56)47(71)64-42(50(75)76)32(6)44(68)60-36(17-13-23-57-51(53)54)46(70)59-35(20-19-29(3)26-30(4)40(77-9)27-34-15-11-10-12-16-34)31(5)43(67)62-38(49(73)74)21-22-41(66)65(8)33(7)45(69)63-39/h10-12,15-16,19-20,26,28,30-32,35-40,42H,7,13-14,17-18,21-25,27H2,1-6,8-9H3,(H,59,70)(H,60,68)(H,61,72)(H,62,67)(H,63,69)(H,64,71)(H,73,74)(H,75,76)(H4,53,54,57)(H4,55,56,58)/b20-19+,29-26+/t30-,31-,32-,35-,36-,37-,38+,39+,40-,42+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)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 |
