Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005730126 | Gold | 3 |
| CCMSLIB00005731104 | Gold | 3 |
| CCMSLIB00005731412 | Gold | 3 |
| CCMSLIB00005731918 | Gold | 3 |
| CCMSLIB00005732309 | Gold | 3 |
| CCMSLIB00005733596 | Gold | 3 |
| CCMSLIB00005733898 | Gold | 3 |
| CCMSLIB00005734171 | Gold | 3 |
| CCMSLIB00005734337 | Gold | 3 |
| CCMSLIB00005735174 | Gold | 3 |
| CCMSLIB00005735691 | Gold | 3 |
| CCMSLIB00005735723 | Gold | 3 |
| CCMSLIB00005736018 | Gold | 3 |
| CCMSLIB00005736303 | Gold | 3 |
| CCMSLIB00005736442 | Gold | 3 |
| CCMSLIB00000213053 | Gold | 3 |
| CCMSLIB00000213055 | Gold | 3 |
| CCMSLIB00000213057 | Gold | 3 |
| CCMSLIB00000213058 | Gold | 3 |
| CCMSLIB00000213060 | Gold | 3 |
| CCMSLIB00000213063 | Gold | 3 |
| CCMSLIB00000213064 | Gold | 3 |
| CCMSLIB00000213066 | Gold | 3 |
| CCMSLIB00000213068 | Gold | 3 |
| CCMSLIB00000213070 | Gold | 3 |
| CCMSLIB00000213072 | Gold | 3 |
| CCMSLIB00000213075 | Gold | 3 |
| CCMSLIB00000213077 | Gold | 3 |
| CCMSLIB00000213079 | Gold | 3 |
| CCMSLIB00000071748 | Gold | 1 |
| CCMSLIB00011428498 | Gold | 3 |
| CCMSLIB00000577611 | Gold | 3 |
| CCMSLIB00012112904 | Gold | 4 |
| CCMSLIB00012112903 | Gold | 4 |
| CCMSLIB00009952701 | Gold | 4 |
| CCMSLIB00009952700 | Gold | 4 |
COMPOUND NPA028651
PROPERTIES
| NPAID | NPA028651 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [(6Z)-Adda5]MC-LR |
| FORMULA | C49H74N10O12 |
| MOLECULAR WEIGHT (Da) | 995.1890 |
| ACCURATE MASS (Da) | 994.5488 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | viridis |
| InChIKey | ZYZCGGRZINLQBL-SGIIWDTFSA-N |
| InChI | InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24-/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=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@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Harada K; Matsuura K; Suzuki M; Watanabe MF; Oishi S; Dahlem AM; Beasley VR; Carmichael WW Isolation and characterization of the minor components associated with microcystins LR and RR in the cyanobacterium (blue-green algae). Toxicon 1990 28 (1) 55-64. | ||
|---|---|---|---|
| DOI | 10.1016/0041-0101(90)90006-s | PMID | 2109908 |
