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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:17beta-estradiol 3-O-carboxymethyl ether
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Accession:CHEBI:138727 term browser browse the term
Definition:A 17beta-hydroxy steroid that is 17beta-estradiol in which the 3-hydroxy group carries a carboxymethyl substituent.
Synonyms:related_synonym: ((17beta-hydroxyestra-1,3,5(10)-trien-3-yl)oxy)acetic acid;   E23CME;   EDCME;   Formula=C20H26O4;   InChI=1S/C20H26O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-18,21H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,18+,20+/m1/s1;   InChIKey=DFDLVUUNTZHQBI-JGLNRKDHSA-N;   SMILES=C1[C@]2([C@]3([C@@](C4=C(C=C(OCC(=O)O)C=C4)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H];   estradiol-3-O-carboxymethyl ether;   {[(17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy}acetic acid
 xref: CAS:41164-36-7;   PMID:3071882;   PMID:867445;   Reaxys:3157739


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Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      biological role 19716
        hapten 3015
          17beta-estradiol 3-O-carboxymethyl ether 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic molecule 19497
                              organic cyclic compound 19321
                                organic polycyclic compound 16516
                                  steroid 13056
                                    steroid fundamental parent 12689
                                      estrane 10028
                                        estradiol 9876
                                          17beta-estradiol 9876
                                            17beta-estradiol 3-O-carboxymethyl ether 0
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