Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028738
PROPERTIES
| NPAID | NPA028738 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-Val1]MC‐LR |
| FORMULA | C51H78N10O12 |
| MOLECULAR WEIGHT (Da) | 1023.2430 |
| ACCURATE MASS (Da) | 1022.5801 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Phormidium |
| ORIGIN SPECIES | sp. DVL1003c |
| InChIKey | QEBMEJHOLOTQNA-ZTAMYMMKSA-N |
| InChI | InChI=1S/C51H78N10O12/c1-27(2)24-38-47(67)60-42(50(71)72)32(8)44(64)56-36(18-15-23-54-51(52)53)46(66)55-35(20-19-29(5)25-30(6)39(73-11)26-34-16-13-12-14-17-34)31(7)43(63)57-37(49(69)70)21-22-40(62)61(10)33(9)45(65)59-41(28(3)4)48(68)58-38/h12-14,16-17,19-20,25,27-28,30-32,35-39,41-42H,9,15,18,21-24,26H2,1-8,10-11H3,(H,55,66)(H,56,64)(H,57,63)(H,58,68)(H,59,65)(H,60,67)(H,69,70)(H,71,72)(H4,52,53,54)/b20-19+,29-25+/t30-,31-,32-,35-,36-,37+,38-,39-,41+,42+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C(C)C)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 |
