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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:8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1
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Accession:CHEBI:2505 term browser browse the term
Definition:A member of the class of aflatoxins that is 8,9-dihydro-9-hydroxyaflatoxin B1 having an S-glutathionyl moiety attached at position 8.
Synonyms:exact_synonym: L-gamma-glutamyl-S-{(6aS,8S,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl}-L-cysteinylglycine
 related_synonym: Afb(1)-gsh;   Afb1-gsh conjugate;   Aflatoxin B1exo-8,9-epoxide-GSH;   Formula=C27H29N3O13S;   InChI=1S/C27H29N3O13S/c1-40-13-6-14-19(22-18(13)9-2-4-12(31)17(9)25(39)42-22)20-21(35)27(43-26(20)41-14)44-8-11(23(36)29-7-16(33)34)30-15(32)5-3-10(28)24(37)38/h6,10-11,20-21,26-27,35H,2-5,7-8,28H2,1H3,(H,29,36)(H,30,32)(H,33,34)(H,37,38)/t10-,11-,20+,21+,26-,27-/m0/s1;   InChIKey=LYDBAPNRLUDIAS-GPQHGYBDSA-N;   SMILES=[H][C@]12O[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H](O)[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12;   aflatoxin B1 exo-8,9-epoxide-GSH
 xref: CAS:68385-50-2;   HMDB:HMDB0060431;   KEGG:C11278;   LIPID_MAPS_instance:LMPK10000005
 xref_mesh: MESH:C047285
 xref: PMID:3933841;   PMID:6411367


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8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Gsta3 glutathione S-transferase alpha 3 affects binding ISO 8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 binds to GSTA3 protein CTD PMID:8910329 NCBI chr 9:27,357,490...27,417,023
Ensembl chr 9:27,402,381...27,417,023
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  CHEBI ontology 19853
    role 19804
      biological role 19804
        biochemical role 19339
          metabolite 19319
            xenobiotic metabolite 14241
              8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic group 18550
                              organic divalent group 18541
                                organodiyl group 18541
                                  carbonyl group 18447
                                    carbonyl compound 18447
                                      carboxylic acid 18125
                                        carboacyl group 17383
                                          univalent carboacyl group 17383
                                            carbamoyl group 17166
                                              carboxamide 17166
                                                peptide 9400
                                                  oligopeptide 1204
                                                    tripeptide 887
                                                      glutathione 376
                                                        glutathione derivative 59
                                                          glutathione conjugate 4
                                                            8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 1
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