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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 20089
    role 20042
      biological role 20011
        epitope 7009
          beta-D-glucose 1627
            beta-D-glucoside 1433
              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 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic molecule 19856
                              organic cyclic compound 19612
                                organic heterocyclic compound 18824
                                  oxacycle 17688
                                    benzopyran 11213
                                      1-benzopyran 10951
                                        chromenes 3028
                                          chromene 136
                                            2H-chromene 136
                                              chromenyliums 136
                                                chromenylium 136
                                                  flavylium 136
                                                    anthocyanidin cation 136
                                                      5-hydroxyanthocyanidin 87
                                                        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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