Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028691
PROPERTIES
| NPAID | NPA028691 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D‐Asp3,ADMAdda5]MC‐VR |
| FORMULA | C48H70N10O13 |
| MOLECULAR WEIGHT (Da) | 995.1450 |
| ACCURATE MASS (Da) | 994.5124 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hapalosiphon |
| ORIGIN SPECIES | sp. |
| InChIKey | HISFNJANPCSYHI-VVVSBFLZSA-N |
| InChI | InChI=1S/C48H70N10O13/c1-25(2)40-45(66)56-36(47(69)70)24-38(60)53-34(16-13-21-51-48(49)50)44(65)54-33(18-17-26(3)22-27(4)37(71-31(8)59)23-32-14-11-10-12-15-32)28(5)41(62)55-35(46(67)68)19-20-39(61)58(9)30(7)43(64)52-29(6)42(63)57-40/h10-12,14-15,17-18,22,25,27-29,33-37,40H,7,13,16,19-21,23-24H2,1-6,8-9H3,(H,52,64)(H,53,60)(H,54,65)(H,55,62)(H,56,66)(H,57,63)(H,67,68)(H,69,70)(H4,49,50,51)/b18-17+,26-22+/t27-,28-,29+,33-,34-,35+,36+,37-,40-/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](C(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](CC2=CC=CC=C2)OC(C)=O)[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 |
