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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:pelargonidin 3-O-beta-D-glucoside
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Accession:CHEBI:31967 term browser browse the term
Definition:An anthocyanin cation consisting of pelargonidin having a beta-D-glucosyl residue attached at the 3-hydroxy position.
Synonyms:exact_synonym: 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium
 related_synonym: 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride;   3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride;   Formula=C21H21O10;   InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1;   InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-O;   Pelargonidin 3-O-glucoside;   Pelargonidin-3-glucopyranoside;   Pelargonidin-3-glucoside;   SMILES=OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O;   callistephin
 xref: Beilstein:1672351;   Beilstein:3919123;   CAS:18466-51-8;   KEGG:C12137;   KNApSAcK:C00006630;   LIPID_MAPS_instance:LMPK12010016
 xref_mesh: MESH:C078485
 xref: MetaCyc:PELARGONIDIN-3-GLUCOSIDE-CMPD;   PMID:15656691;   Reaxys:3901091;   Wikipedia:Callistephin
 cyclic_relationship: is_conjugate_acid_of CHEBI:144778


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pelargonidin 3-O-beta-D-glucoside term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G CA1 carbonic anhydrase 1 decreases activity EXP pelargonidin-3-glucoside results in decreased activity of CA1 protein CTD PMID:28445001 NCBI chr 8:85,327,608...85,378,113
Ensembl chr 8:85,327,608...85,379,014 		JBrowse link
G CA2 carbonic anhydrase 2 decreases activity EXP pelargonidin-3-glucoside results in decreased activity of CA2 protein CTD PMID:28445001 NCBI chr 8:85,464,007...85,481,493
Ensembl chr 8:85,463,968...85,481,493 		JBrowse link
pelargonidin 3-O-beta-D-glucoside chloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G CA1 carbonic anhydrase 1 decreases activity EXP pelargonidin-3-glucoside results in decreased activity of CA1 protein CTD PMID:28445001 NCBI chr 8:85,327,608...85,378,113
Ensembl chr 8:85,327,608...85,379,014 		JBrowse link
G CA2 carbonic anhydrase 2 decreases activity EXP pelargonidin-3-glucoside results in decreased activity of CA2 protein CTD PMID:28445001 NCBI chr 8:85,464,007...85,481,493
Ensembl chr 8:85,463,968...85,481,493 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      biological role 25929
        epitope 7428
          beta-D-glucose 1706
            beta-D-glucoside 1516
              pelargonidin 3-O-beta-D-glucoside 2
                pelargonidin 3-(6-p-coumaroyl)glucoside 0
                pelargonidin 3-O-beta-D-glucoside chloride 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            organic molecule 25222
                              organic cyclic compound 24274
                                organic heterocyclic compound 22328
                                  oxacycle 19986
                                    benzopyran 12738
                                      1-benzopyran 12474
                                        chromenes 4772
                                          chromene 136
                                            2H-chromene 136
                                              chromenyliums 136
                                                chromenylium 136
                                                  flavylium 136
                                                    anthocyanidin cation 136
                                                      5-hydroxyanthocyanidin 88
                                                        pelargonidin 27
                                                          pelargonidin 3-O-beta-D-glucoside 2
                                                            pelargonidin 3-(6-p-coumaroyl)glucoside 0
                                                            pelargonidin 3-O-beta-D-glucoside chloride 2
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