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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-aza-A-homocholest-4a-en-4-one
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Accession:CHEBI:79753 term browser browse the term
Definition:A member of the class of caprolactams resulting from the Beckmann rearrangement of the oxime derivative of cholest-4-en-3-one.
Synonyms:exact_synonym: 3-aza-4a-homocholest-4a-en-4-one
 related_synonym: (5aR,5bS,7aR,8R,10aS,10bS)-5a,7a-dimethyl-8-[(2R)-6-methylheptan-2-yl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one;   3-Aza-alpha-homocholest-4alpha-en-4-one;   Formula=C27H45NO;   InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-25(29)28-16-15-26(20,4)24(21)13-14-27(22,23)5/h17-19,21-24H,6-16H2,1-5H3,(H,28,29)/t19-,21+,22-,23+,24+,26+,27-/m1/s1;   InChIKey=FKEMOURCBNXSDQ-HZPUXBNGSA-N;   SMILES=CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C
 xref: CAS:10062-39-2;   KEGG:C15251;   Reaxys:4546174


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  CHEBI ontology 19898
    chemical entity 19896
      atom 19896
        nonmetal atom 19818
          carbon atom 19771
            organic molecular entity 19771
              semisynthetic derivative 1653
                3-aza-A-homocholest-4a-en-4-one 0
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  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  carbon oxoacid 18675
                                    carboxylic acid 18672
                                      carboacyl group 17712
                                        univalent carboacyl group 17712
                                          carbamoyl group 17563
                                            carboxamide 17563
                                              lactam 8399
                                                caprolactams 22
                                                  3-aza-A-homocholest-4a-en-4-one 0
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