Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028696
PROPERTIES
| NPAID | NPA028696 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [ADMAdda5,Dha7]MC‐LR |
| FORMULA | C49H72N10O13 |
| MOLECULAR WEIGHT (Da) | 1009.1720 |
| ACCURATE MASS (Da) | 1008.5280 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hapalosiphon |
| ORIGIN SPECIES | sp. |
| InChIKey | OXEWVIJLTMFSCK-RJPWZEGISA-N |
| InChI | InChI=1S/C49H72N10O13/c1-25(2)22-37-46(67)59-40(48(70)71)29(6)42(63)56-35(16-13-21-52-49(50)51)45(66)55-34(18-17-26(3)23-27(4)38(72-32(9)60)24-33-14-11-10-12-15-33)28(5)41(62)57-36(47(68)69)19-20-39(61)53-30(7)43(64)54-31(8)44(65)58-37/h10-12,14-15,17-18,23,25,27-29,31,34-38,40H,7,13,16,19-22,24H2,1-6,8-9H3,(H,53,61)(H,54,64)(H,55,66)(H,56,63)(H,57,62)(H,58,65)(H,59,67)(H,68,69)(H,70,71)(H4,50,51,52)/b18-17+,26-23+/t27-,28-,29-,31+,34-,35-,36+,37-,38-,40+/m0/s1 |
| SMILES | C=C1NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC(C)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC1=O |
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 |
