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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:3-Hydroxy-5-methylhex-4-enoyl-CoA
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Accession:CHEBI:80512 term browser browse the term
Definition:A polyol that has formula C28H46N7O18P3S.
Synonyms:related_synonym: Formula=C28H46N7O18P3S;   InChI=1S/C28H46N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,16-17,21-23,27,36,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16?,17-,21-,22-,23?,27-/m1/s1;   InChIKey=OLZYNLSKRKFUJC-GPZVIVARSA-N;   SMILES=CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
 xref: KEGG:C16469


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  CHEBI ontology 499
    chemical entity 499
      molecular entity 499
        polyatomic entity 492
          heteroatomic molecular entity 443
            hydroxides 423
              organic hydroxy compound 143
                polyol 17
                  3-Hydroxy-5-methylhex-4-enoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      p-block molecular entity 492
                        chalcogen molecular entity 450
                          oxygen molecular entity 448
                            hydroxides 423
                              organic hydroxy compound 143
                                polyol 17
                                  3-Hydroxy-5-methylhex-4-enoyl-CoA 0
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