Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028707
PROPERTIES
| NPAID | NPA028707 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D‐Asp3,DMAdda5]MC‐LR |
| FORMULA | C47H70N10O12 |
| MOLECULAR WEIGHT (Da) | 967.1350 |
| ACCURATE MASS (Da) | 966.5175 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UK18 |
| InChIKey | FYRAXCGEXQMBHA-RHFXSWBISA-N |
| InChI | InChI=1S/C47H70N10O12/c1-25(2)21-35-44(65)56-36(46(68)69)24-38(59)52-33(15-12-20-50-47(48)49)43(64)53-32(17-16-26(3)22-27(4)37(58)23-31-13-10-9-11-14-31)28(5)40(61)54-34(45(66)67)18-19-39(60)57(8)30(7)42(63)51-29(6)41(62)55-35/h9-11,13-14,16-17,22,25,27-29,32-37,58H,7,12,15,18-21,23-24H2,1-6,8H3,(H,51,63)(H,52,59)(H,53,64)(H,54,61)(H,55,62)(H,56,65)(H,66,67)(H,68,69)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,29+,32-,33-,34+,35-,36+,37-/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@@H](O)CC2=CC=CC=C2)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kaasalainen U; Jokela J; Fewer DP; Sivonen K; Rikkinen J Microcystin production in the tripartite cyanolichen Peltigera leucophlebia. Molecular Plant-Microbe Interactions 2009 22 (6) 695-702. | ||
|---|---|---|---|
| DOI | 10.1094/MPMI-22-6-0695 | PMID | 19445594 |
