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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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Term Annotations click to browse term
  CHEBI ontology 19764
    role 19711
      biological role 19710
        biophysical role 12268
          biological pigment 1040
            amaranthin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            organic group 18432
                              organic divalent group 18423
                                organodiyl group 18423
                                  carbonyl group 18311
                                    carbonyl compound 18311
                                      carboxylic acid 17978
                                        amino acid 12466
                                          alpha-amino acid 7689
                                            non-proteinogenic alpha-amino acid 1517
                                              betanidin 4
                                                amaranthin 0
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