WormBase Tree Display for Molecule: WBMol:00003468
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| WBMol:00003468 | Public_name | Microcystin-LR | ||||
|---|---|---|---|---|---|---|
| Formula | C49H74N10O12 | |||||
| Monoisotopic_mass | 994.549 | |||||
| IUPAC | cyclo[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanyl] | |||||
| SMILES | [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O)\C=C\C(C)=C\[C@H](C)[C@H](Cc1ccccc1)OC | |||||
| 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 | |||||
| InChiKey | ZYZCGGRZINLQBL-GWRQVWKTSA-N | |||||
| Synonym | cyanoginosin LR | |||||
| microcystin-LR | ||||||
| DB_info | Database | NLM_MeSH | UID | C057862 | ||
| CTD | ChemicalID | C057862 | ||||
| ChEBI | CHEBI_ID | 6925 | ||||
| ChemIDplus | RN | 101043-37-2 | ||||
| KEGG COMPOUND | Accession_number | C05371 | ||||
| Regulate_expr_cluster | WBPaper00045807:microcystin-LR_downregulated | |||||
| WBPaper00045807:microcystin-LR_downregulated_miRNA | ||||||
| WBPaper00045807:microcystin-LR_upregulated | ||||||
| WBPaper00045807:microcystin-LR_upregulated_miRNA | ||||||
| Affects_phenotype_of | RNAi | WBRNAi00098323 | WBPhenotype:0000523 | Paper_evidence | WBPaper00040806 | |
| WBPhenotype:0002045 | Paper_evidence | WBPaper00040806 | ||||
| WBRNAi00098325 | WBPhenotype:0000523 | Paper_evidence | WBPaper00040806 | |||
| WBPhenotype:0002045 | Paper_evidence | WBPaper00040806 | ||||
| WBRNAi00098326 | WBPhenotype:0000523 | Paper_evidence | WBPaper00040806 | |||
| WBPhenotype:0002045 | Paper_evidence | WBPaper00040806 | ||||
| WBRNAi00098327 | WBPhenotype:0000523 | Paper_evidence | WBPaper00040806 | |||
| WBPhenotype:0002045 | Paper_evidence | WBPaper00040806 | ||||
| Interaction | WBInteraction000518959 | |||||
| WBInteraction000518960 | ||||||
| WBInteraction000518961 | ||||||
| WBInteraction000518962 | ||||||
| Reference | WBPaper00041515 |
