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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:amarogentin
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Accession:CHEBI:2622 term browser browse the term
Definition:A secoiridoid glycoside that consists of (4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one having a 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranosyl group attached at position 6 via a glycosidic linkage.
Synonyms:exact_synonym: (4aR)-5t-ethenyl-6c-[O(2)-(3,5,3'-trihydroxybiphenyl-2-ylcarbonyl)-beta-D-glucopyranosyloxy]-4,4ar,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
 related_synonym: (4aS,5R,6S)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl- 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranoside;   Formula=C29H30O13;   InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1;   InChIKey=DBOVHQOUSDWAPQ-WTONXPSSSA-N;   SMILES=[H][C@@]12CCOC(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1c(O)cc(O)cc1-c1cccc(O)c1)[C@@H]2C=C;   sweroside-2'-(3'',5'',3'''-trihydroxydiphenyl)-2''-carboxylic acid ester
 xref: Beilstein:74677;   CAS:21018-84-8;   KEGG:C09767;   KNApSAcK:C00003070
 xref_mesh: MESH:C102609
 xref: PMID:8720386;   Reaxys:74677;   Wikipedia:Amarogentin



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amarogentin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Casp3 caspase 3 multiple interactions ISO amarogentin inhibits the reaction [[9,10-Dimethyl-1,2-benzanthracene co-treated with Croton Oil] results in increased cleavage of and results in increased activity of CASP3 protein] CTD PMID:16517061 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Cat catalase decreases activity ISO amarogentin results in decreased activity of CAT protein CTD PMID:15173996 NCBI chr 3:89,842,393...89,874,577
Ensembl chr 3:89,842,399...89,874,478
JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 multiple interactions ISO amarogentin inhibits the reaction [[9,10-Dimethyl-1,2-benzanthracene co-treated with Croton Oil] results in increased expression of PTGS2 protein] CTD PMID:16517061 NCBI chr13:62,164,080...62,169,770
Ensembl chr13:62,163,932...62,172,188
JBrowse link

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  CHEBI ontology 20056
    role 20008
      biological role 20007
        biochemical role 19640
          metabolite 19623
            amarogentin 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            heteroorganic entity 19561
                              organochalcogen compound 19310
                                organooxygen compound 19243
                                  carbohydrates and carbohydrate derivatives 13928
                                    carbohydrate 13928
                                      carbohydrate derivative 13657
                                        glycosyl compound 12913
                                          glycoside 11726
                                            terpene glycoside 436
                                              secoiridoid glycoside 21
                                                amarogentin 3
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