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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:neoxanthin
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Accession:CHEBI:25501 term browser browse the term
Definition:An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions.
Synonyms:related_synonym: Formula=C40H56O4;   InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/t22-,33-,34-,38+,39+,40-/m0/s1;   InChIKey=PGYAYSRVSAJXTE-QLIYCPSBSA-N;   SMILES=[H]C(=CC([H])=C(C)C([H])=CC([H])=C(C)C([H])=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C=C(C)C=C([H])C=C(C)C=C([H])[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C;   all-trans-Neoxanthin
 xref: CAS:30743-41-0;   KEGG:C08606;   KNApSAcK:C00003780


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Path 1
Term Annotations click to browse term
  CHEBI ontology 874
    chemical entity 874
      atom 859
        nonmetal atom 839
          carbon atom 821
            organic molecular entity 821
              olefinic compound 351
                allenes 0
                  neoxanthin 0
                    9'-cis-neoxanthin 0
                    all-trans-neoxanthin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 874
    subatomic particle 859
      composite particle 859
        hadron 859
          baryon 859
            nucleon 859
              atomic nucleus 859
                atom 859
                  main group element atom 849
                    main group molecular entity 847
                      s-block molecular entity 731
                        hydrogen molecular entity 717
                          hydrides 345
                            organic hydride 244
                              organic fundamental parent 244
                                hydrocarbon 181
                                  terpene 97
                                    tetraterpene 0
                                      carotene 0
                                        carotenoid 0
                                          xanthophyll 0
                                            epoxycarotenoid 0
                                              epoxycarotenol 0
                                                neoxanthin 0
                                                  9'-cis-neoxanthin 0
                                                  all-trans-neoxanthin 0
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