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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 19821
    role 19769
      biological role 19769
        epitope 6980
          beta-D-glucose 1605
            beta-D-glucoside 1412
              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 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic molecule 19569
                              organic cyclic compound 19360
                                organic heterocyclic compound 18591
                                  oxacycle 17587
                                    benzopyran 10402
                                      1-benzopyran 10129
                                        chromenes 948
                                          chromene 134
                                            2H-chromene 134
                                              chromenyliums 134
                                                chromenylium 134
                                                  flavylium 134
                                                    anthocyanidin cation 134
                                                      5-hydroxyanthocyanidin 82
                                                        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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