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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 22194
    role 22179
      application 21760
        pharmaceutical 21174
          drug 21174
            antineoplastic agent 18895
              adonixanthin 0
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  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    main group molecular entity 22120
                      s-block molecular entity 21717
                        hydrogen molecular entity 21634
                          hydrides 20777
                            organic hydride 20333
                              organic fundamental parent 20333
                                hydrocarbon 19911
                                  terpene 14743
                                    tetraterpene 610
                                      carotene 610
                                        carotenoid 610
                                          xanthophyll 282
                                            carotenone 83
                                              adonixanthin 0
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