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ONTOLOGY REPORT - ANNOTATIONS


Term:amaranthin
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Accession:CHEBI:2621 term browser browse the term
Definition:A disaccharide derivative that is betanidin in which a beta-D-glucuronosyl-(1->2)-beta-D-glucosyl moiety is attached at position 5.
Synonyms:exact_synonym: (1E,2S)-1-{(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-5-[(beta-D-glucopyranosyluronic acid)-(1->2)-beta-D-glucopyranosyloxy]-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate
 related_synonym: Amaranthin betacyanin;   Amarantin;   Formula=C30H34N2O19;   InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)/t12-,14-,17+,18+,19-,20-,21-,22+,23-,24+,29-,30+/m0/s1;   InChIKey=ATSKDYKYMQVTGH-POBNKHOBSA-N;   SMILES=OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\\[N+](=C/C=C4\\C[C@H](NC(=C4)C(O)=O)C(O)=O)c3cc2O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H]1O;   betanidin 5-O-beta-[1''->2']-glucuronosyl-beta-glucoside;   betanidin 5-O-sophorobiuronic acid
 xref: CAS:15167-84-7 "ChemIDplus";   CAS:15167-84-7 "KEGG COMPOUND";   HMDB:HMDB0029406;   KEGG:C08537;   KNApSAcK:C00001581;   MetaCyc:CPD-8658;   Reaxys:8183321 "Reaxys"


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  CHEBI ontology 23673
    role 23561
      biological role 23522
        biophysical role 12709
          biological pigment 1057
            amaranthin 0
Path 2
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  CHEBI ontology 23673
    subatomic particle 23620
      composite particle 23620
        hadron 23620
          baryon 23620
            nucleon 23620
              atomic nucleus 23620
                atom 23620
                  main group element atom 23437
                    p-block element atom 23437
                      carbon group element atom 23135
                        carbon atom 23111
                          organic molecular entity 23111
                            organic group 21810
                              organic divalent group 21779
                                organodiyl group 21779
                                  carbonyl group 21752
                                    carbonyl compound 21752
                                      carboxylic acid 20773
                                        amino acid 12933
                                          alpha-amino acid 7663
                                            non-proteinogenic alpha-amino acid 1532
                                              betanidin 3
                                                amaranthin 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.