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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 19821
    role 19769
      biological role 19769
        biochemical role 19389
          metabolite 19364
            amarogentin 3
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
                            heteroorganic entity 19294
                              organochalcogen compound 19064
                                organooxygen compound 19014
                                  carbohydrates and carbohydrate derivatives 12341
                                    carbohydrate 12341
                                      carbohydrate derivative 11947
                                        glycosyl compound 10977
                                          glycoside 9260
                                            terpene glycoside 407
                                              secoiridoid glycoside 21
                                                amarogentin 3
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