Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028697
PROPERTIES
| NPAID | NPA028697 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D‐Asp3,ADMAdda5,Dha7]MC‐HilR |
| FORMULA | C49H72N10O13 |
| MOLECULAR WEIGHT (Da) | 1009.1720 |
| ACCURATE MASS (Da) | 1008.5280 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hapalosiphon |
| ORIGIN SPECIES | sp. |
| InChIKey | DYVNDYGAKNUGLZ-PVSWEASFSA-N |
| InChI | InChI=1S/C49H72N10O13/c1-9-26(2)23-37-46(67)59-38(48(70)71)25-41(62)55-35(16-13-21-52-49(50)51)45(66)56-34(18-17-27(3)22-28(4)39(72-32(8)60)24-33-14-11-10-12-15-33)29(5)42(63)57-36(47(68)69)19-20-40(61)53-30(6)43(64)54-31(7)44(65)58-37/h10-12,14-15,17-18,22,26,28-29,31,34-39H,6,9,13,16,19-21,23-25H2,1-5,7-8H3,(H,53,61)(H,54,64)(H,55,62)(H,56,66)(H,57,63)(H,58,65)(H,59,67)(H,68,69)(H,70,71)(H4,50,51,52)/b18-17+,27-22+/t26-,28-,29-,31+,34-,35-,36+,37-,38+,39-/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[C@H](C(=O)O)NC(=O)[C@H](C[C@@H](C)CC)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 |
