Term: | microcystin RR |
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Accession: | CHEBI:133296
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Definition: | A microcystin consisting of D-alanyl, L-arginyl, (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, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. |
Synonyms: | exact_synonym: | (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis(3-carbamimidamidopropyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid; cyclo[D-alanyl-L-arginyl-(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] |
| related_synonym: | Cyanoginosin RR; Formula=C49H75N13O12; InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1; InChIKey=JIGDOBKZMULDHS-UUHBQKJESA-N; MC-RR; SMILES=C([C@H](OC)[C@@H](C)\\C=C(/C)\\C=C\\[C@@]1(NC([C@H](CCCNC(=N)N)NC([C@H]([C@H](C(O)=O)NC([C@H](CCCNC(=N)N)NC([C@@H](C)NC(C(N(C(CC[C@@H](NC([C@H]1C)=O)C(O)=O)=O)C)=C)=O)=O)=O)C)=O)=O)[H])C=2C=CC=CC2 |
| xref: | AGR:IND601212877; CAS:111755-37-4 |
| xref_mesh: | MESH:C063855 |
| xref: | PMID:20196164; PMID:20623858; PMID:20704232; PMID:21218261; PMID:21829477; PMID:22140076; PMID:22177937; PMID:22207040; PMID:22250846; PMID:22721844; PMID:23272327; PMID:23537600; PMID:23538035; PMID:23764611; PMID:23785999; PMID:23961204; PMID:24152164; PMID:24351711; PMID:24868986; PMID:24932741; PMID:24950098; PMID:25048936; PMID:25193844; PMID:25854999; PMID:25892066; PMID:25897773; PMID:25978348; PMID:26087964; PMID:26896895; PMID:26936473; PMID:27453259; Pubchem:6438357 |
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