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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:adonixanthin
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Accession:CHEBI:80217 term browser browse the term
Definition:A carotenone that consists of beta,beta-caroten-4-one bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'R diastereomer).
Synonyms:exact_synonym: (3S,3'R)-3,3'-dihydroxy-beta,beta-caroten-4-one
 related_synonym: (3S,3'R)-4-ketozeaxanthin;   (3S,3'R)-adonixanthin;   (3S,3'R)-dihydroxy-4-keto-beta,beta-carotene;   4-Ketozeaxanthin;   Formula=C40H54O3;   InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1;   InChIKey=YECXHLPYMXGEBI-ZNQVSPAOSA-N;   SMILES=C=1(C(C[C@@H](C(C1C)=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@@H](CC2C)O)(C)C)\\C)\\C)/C)/C;   all-trans-adonixanthin;   all-trans-beta-doradexanthin;   doradexanthin
 xref: CAS:4418-73-9;   KEGG:C15968;   KNApSAcK:C00000917;   LIPID_MAPS_instance:LMPR01070016;   MetaCyc:CPD-7852;   PMID:15272869;   PMID:22669477;   PMID:23470446;   PMID:28689962;   PMID:29439525;   PMID:29502828;   PMID:30092231;   Reaxys:6494355


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  CHEBI ontology 22307
    role 22292
      application 21907
        pharmaceutical 21262
          drug 21262
            antineoplastic agent 18963
              adonixanthin 0
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  CHEBI ontology 22307
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22182
                    main group molecular entity 22182
                      s-block molecular entity 21770
                        hydrogen molecular entity 21685
                          hydrides 20797
                            organic hydride 20349
                              organic fundamental parent 20349
                                hydrocarbon 19928
                                  terpene 14791
                                    tetraterpene 616
                                      carotene 616
                                        carotenoid 616
                                          xanthophyll 288
                                            carotenone 83
                                              adonixanthin 0
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