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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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Term Annotations click to browse term
  CHEBI ontology 19740
    role 19713
      biological role 19711
        biochemical role 19429
          metabolite 19416
            xenobiotic metabolite 14880
              8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19740
    subatomic particle 19738
      composite particle 19738
        hadron 19738
          baryon 19738
            nucleon 19738
              atomic nucleus 19738
                atom 19738
                  main group element atom 19686
                    p-block element atom 19686
                      carbon group element atom 19631
                        carbon atom 19627
                          organic molecular entity 19627
                            organic group 18846
                              organic divalent group 18832
                                organodiyl group 18832
                                  carbonyl group 18798
                                    carbonyl compound 18798
                                      carboxylic acid 18518
                                        carboacyl group 17656
                                          univalent carboacyl group 17656
                                            carbamoyl group 17497
                                              carboxamide 17497
                                                peptide 9521
                                                  oligopeptide 1306
                                                    tripeptide 958
                                                      glutathione 379
                                                        glutathione derivative 58
                                                          glutathione conjugate 3
                                                            8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 0
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