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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 19834
    role 19810
      biological role 19808
        biochemical role 19521
          metabolite 19508
            xenobiotic metabolite 15461
              8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19731
                        carbon atom 19727
                          organic molecular entity 19727
                            heteroorganic entity 19484
                              organochalcogen compound 19248
                                organooxygen compound 19165
                                  carbon oxoacid 18633
                                    carboxylic acid 18630
                                      carboacyl group 17703
                                        univalent carboacyl group 17703
                                          carbamoyl group 17553
                                            carboxamide 17553
                                              peptide 11126
                                                oligopeptide 1342
                                                  tripeptide 974
                                                    glutathione 384
                                                      glutathione derivative 58
                                                        glutathione conjugate 3
                                                          8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 0
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