Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008369
PROPERTIES
| NPAID | NPA008369 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [D-Leu1]microcystin-LR |
| FORMULA | C52H80N10O12 |
| MOLECULAR WEIGHT (Da) | 1037.2700 |
| ACCURATE MASS (Da) | 1036.5957 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp RST 9501 |
| InChIKey | PYRKYAINAPVHFV-OGPAHFFASA-N |
| InChI | InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1 |
| SMILES | C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)CC(C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Matthiensen; Beattie; Yunes; Kaya; Codd [D-Leu1]Microcystin-LR, from the cyanobacterium Microcystis RST 9501 and from a Microcystis bloom in the Patos Lagoon estuary, Brazil Phytochemistry 2000 55 (5) 383-387. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(00)00335-6 | PMID | 11140597 |
