Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028695
PROPERTIES
| NPAID | NPA028695 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D‐Asp3,Dha7]MC‐FR |
| FORMULA | C50H68N10O12 |
| MOLECULAR WEIGHT (Da) | 1001.1520 |
| ACCURATE MASS (Da) | 1000.5018 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hapalosiphon |
| ORIGIN SPECIES | sp. |
| InChIKey | NELUXDWVSZSXBG-MCVAKWTKSA-N |
| InChI | InChI=1S/C50H68N10O12/c1-28(24-29(2)40(72-6)26-34-16-11-8-12-17-34)19-20-35-30(3)43(63)58-37(48(68)69)21-22-41(61)54-31(4)44(64)55-32(5)45(65)59-38(25-33-14-9-7-10-15-33)47(67)60-39(49(70)71)27-42(62)56-36(46(66)57-35)18-13-23-53-50(51)52/h7-12,14-17,19-20,24,29-30,32,35-40H,4,13,18,21-23,25-27H2,1-3,5-6H3,(H,54,61)(H,55,64)(H,56,62)(H,57,66)(H,58,63)(H,59,65)(H,60,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t29-,30-,32+,35-,36-,37+,38-,39+,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)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C[C@H](C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)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 |
