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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 Car1 carbonic anhydrase 1 decreases activity ISO pelargonidin-3-glucoside results in decreased activity of CA1 protein CTD PMID:28445001 NCBI chr 2:86,829,436...86,872,209
Ensembl chr 2:86,861,897...86,872,208 		JBrowse link
G Car2 carbonic anhydrase 2 decreases activity ISO pelargonidin-3-glucoside results in decreased activity of CA2 protein CTD PMID:28445001 NCBI chr 2:86,741,625...86,756,766
Ensembl chr 2:86,741,626...86,756,818 		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 Car1 carbonic anhydrase 1 decreases activity ISO pelargonidin-3-glucoside results in decreased activity of CA1 protein CTD PMID:28445001 NCBI chr 2:86,829,436...86,872,209
Ensembl chr 2:86,861,897...86,872,208 		JBrowse link
G Car2 carbonic anhydrase 2 decreases activity ISO pelargonidin-3-glucoside results in decreased activity of CA2 protein CTD PMID:28445001 NCBI chr 2:86,741,625...86,756,766
Ensembl chr 2:86,741,626...86,756,818 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      biological role 19815
        epitope 7035
          beta-D-glucose 1659
            beta-D-glucoside 1465
              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 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            organic molecule 19686
                              organic cyclic compound 19498
                                organic heterocyclic compound 18876
                                  oxacycle 17888
                                    benzopyran 11957
                                      1-benzopyran 11709
                                        chromenes 4420
                                          chromene 137
                                            2H-chromene 137
                                              chromenyliums 137
                                                chromenylium 137
                                                  flavylium 137
                                                    anthocyanidin cation 137
                                                      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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