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Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid - Ontology Report - Rat Genome Database

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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:Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid
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Accession:CHEBI:79692 term browser browse the term
Definition:A steroid that has formula C20H24O4.
Synonyms:related_synonym: 3-O-(Carboxymethyl)estrone;   Formula=C20H24O4;   InChI=1S/C20H24O4/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/h3,5,10,15-17H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,20+/m1/s1;   InChIKey=XSDCLHQDGODZPZ-WWNBULGVSA-N;   SMILES=C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(O)=O)ccc34)[C@@H]1CCC2=O
 xref: KEGG:C15174

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  CHEBI ontology 1265
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          carbon atom 1247
            organic molecular entity 1247
              lipid 111
                steroid 40
                  Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid 0
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                            organic molecule 1236
                              organic cyclic compound 1220
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                                    steroid fundamental parent 20
                                      estrane 4
                                        Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid 0
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