Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028688
PROPERTIES
| NPAID | NPA028688 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-Asp3]MC-RA |
| FORMULA | C45H66N10O12 |
| MOLECULAR WEIGHT (Da) | 939.0810 |
| ACCURATE MASS (Da) | 938.4862 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hapalosiphon |
| ORIGIN SPECIES | sp. |
| InChIKey | FXSKUDKICQOZGL-JEPMYZTKSA-N |
| InChI | InChI=1S/C45H66N10O12/c1-24(21-25(2)35(67-8)22-30-13-10-9-11-14-30)16-17-31-26(3)38(58)53-33(43(63)64)18-19-37(57)55(7)29(6)41(61)50-28(5)40(60)52-32(15-12-20-48-45(46)47)42(62)54-34(44(65)66)23-36(56)49-27(4)39(59)51-31/h9-11,13-14,16-17,21,25-28,31-35H,6,12,15,18-20,22-23H2,1-5,7-8H3,(H,49,56)(H,50,61)(H,51,59)(H,52,60)(H,53,58)(H,54,62)(H,63,64)(H,65,66)(H4,46,47,48)/b17-16+,24-21+/t25-,26-,27-,28+,31-,32-,33+,34+,35-/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](C)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 | Fewer DP; Rouhiainen L; Jokela J; Wahlsten M; Laakso K; Wang H; Sivonen K Recurrent adenylation domain replacement in the microcystin synthetase gene cluster. BMC Evolutionary Biology 2007 7 183. | ||
|---|---|---|---|
| DOI | 10.1186/1471-2148-7-183 | PMID | 17908306 |
