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ONTOLOGY REPORT - ANNOTATIONS


Term:microcystin RR
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Accession:CHEBI:133296 term browser browse the term
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 "Europe PMC";   CAS:111755-37-4 "ChemIDplus"
 xref_mesh: MESH:C063855
 xref: PMID:20196164 "Europe PMC";   PMID:20623858 "Europe PMC";   PMID:20704232 "Europe PMC";   PMID:21218261 "Europe PMC";   PMID:21829477 "Europe PMC";   PMID:22140076 "Europe PMC";   PMID:22177937 "Europe PMC";   PMID:22207040 "Europe PMC";   PMID:22250846 "Europe PMC";   PMID:22721844 "Europe PMC";   PMID:23272327 "Europe PMC";   PMID:23537600 "Europe PMC";   PMID:23538035 "Europe PMC";   PMID:23764611 "Europe PMC";   PMID:23785999 "Europe PMC";   PMID:23961204 "Europe PMC";   PMID:24152164 "Europe PMC";   PMID:24351711 "Europe PMC";   PMID:24868986 "Europe PMC";   PMID:24932741 "Europe PMC";   PMID:24950098 "Europe PMC";   PMID:25048936 "Europe PMC";   PMID:25193844 "Europe PMC";   PMID:25854999 "Europe PMC";   PMID:25892066 "Europe PMC";   PMID:25897773 "Europe PMC";   PMID:25978348 "Europe PMC";   PMID:26087964 "Europe PMC";   PMID:26896895 "Europe PMC";   PMID:26936473 "Europe PMC";   PMID:27453259 "Europe PMC";   Pubchem:6438357 "SUBMITTER"


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  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          microcystin RR 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        carboacyl group 0
                                          univalent carboacyl group 0
                                            carbamoyl group 0
                                              carboxamide 0
                                                peptide 0
                                                  cyclic peptide 0
                                                    heterodetic cyclic peptide 0
                                                      microcystin 0
                                                        microcystin RR 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.