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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:3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oate
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Accession:CHEBI:142846 term browser browse the term
Definition:A steroid acid anion resulting from the deprotonation of the carboxy group of 3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oic acid. The major species at pH 7.3.
Synonyms:related_synonym: 4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol;   4alpha-carboxylato-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol;   Formula=C30H47O3;   InChI=1S/C30H48O3/c1-19(2)8-7-9-20(3)21-12-14-27(5)22-10-11-23-28(6,25(32)33)24(31)13-15-29(23)18-30(22,29)17-16-26(21,27)4/h8,20-24,31H,7,9-18H2,1-6H3,(H,32,33)/p-1/t20-,21-,22+,23+,24+,26-,27+,28+,29-,30+/m1/s1;   InChIKey=GHMALMMXVUBOFV-TWOGUOSYSA-M;   SMILES=[C@]123[C@@]4([C@]([C@]([C@@H](O)CC4)(C)C(=O)[O-])(CC[C@]1([C@]5(C)CC[C@@]([C@]5(CC2)C)([C@@H](CCC=C(C)C)C)[H])[H])[H])C3
 xref: MetaCyc:CPD-12919;   PMID:8505296;   PMID:9240456
 cyclic_relationship: is_conjugate_base_of CHEBI:145728

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        ion 0
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            organic anion 0
              carboxylic acid anion 0
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                  3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oate 0
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  CHEBI ontology 0
    subatomic particle 0
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          baryon 0
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              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic ion 0
                              organic anion 0
                                carboxylic acid anion 0
                                  steroid acid anion 0
                                    3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oate 0
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