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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        biochemical role 19281
          metabolite 19262
            xenobiotic metabolite 14041
              8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic acid 18060
                                        carboacyl group 17346
                                          univalent carboacyl group 17346
                                            carbamoyl group 17132
                                              carboxamide 17132
                                                peptide 9391
                                                  oligopeptide 1196
                                                    tripeptide 881
                                                      glutathione 373
                                                        glutathione derivative 58
                                                          glutathione conjugate 4
                                                            8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 1
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