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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 9:23,658,574...23,684,240
Ensembl chr 9:23,658,574...23,684,240
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Path 1
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  CHEBI ontology 19812
    role 19761
      biological role 19761
        biochemical role 19381
          metabolite 19356
            xenobiotic metabolite 14476
              8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        carboacyl group 17482
                                          univalent carboacyl group 17482
                                            carbamoyl group 17298
                                              carboxamide 17298
                                                peptide 9444
                                                  oligopeptide 1266
                                                    tripeptide 929
                                                      glutathione 376
                                                        glutathione derivative 59
                                                          glutathione conjugate 4
                                                            8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 1
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