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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:(20R)-20-(carboxymethyl)oxypregn-4-en-3-one
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Accession:CHEBI:62044 term browser browse the term
Definition:A steroid acid comprising (20R)-20-hydroxypregn-4-en-3-one having a carboxymethyl group attached to the 20-hydroxy function.
Synonyms:exact_synonym: {[(20R)-3-oxopregn-4-en-20-yl]oxy}acetic acid
 related_synonym: (20R)-20-hydroxypregn-4-en-3-one carboxymethyl ether;   Formula=C23H34O4;   InChI=1S/C23H34O4/c1-14(27-13-21(25)26)18-6-7-19-17-5-4-15-12-16(24)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,14,17-20H,4-11,13H2,1-3H3,(H,25,26)/t14-,17+,18-,19+,20+,22+,23-/m1/s1;   InChIKey=VUKWZNZHAKAFNU-LBPUPLFVSA-N;   SMILES=[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)OCC(O)=O
 xref: PMID:8496956


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      group 19768
        organic group 18926
          3-oxo-Delta(4)-steroid group 9157
            3-oxo-Delta(4) steroid 9157
              (20R)-20-(carboxymethyl)oxypregn-4-en-3-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbonyl compound 18858
                                    ketone 17163
                                      oxo steroid 10526
                                        3-oxo steroid 9917
                                          3-oxo-Delta(4) steroid 9157
                                            (20R)-20-(carboxymethyl)oxypregn-4-en-3-one 0
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