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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:pentalenate
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Accession:CHEBI:68649 term browser browse the term
Definition:A hydroxy monocarboxylic acid anion that is the conjugate base of pentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (1R,3aR,5aS,6R,8aS)-6-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate
 related_synonym: Formula=C15H21O3;   InChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/p-1/t8-,10+,11-,12-,15+/m1/s1;   InChIKey=WBLTVUMJMJIOGQ-YCGCYHNXSA-M;   SMILES=[H][C@@]12CC[C@@H](C)[C@@]11CC(C)(C)[C@H](O)[C@@]1([H])C=C2C([O-])=O
 xref: MetaCyc:CPDMETA-13643;   PMID:21081950
 cyclic_relationship: is_conjugate_base_of CHEBI:68665


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Path 1
Term Annotations click to browse term
  CHEBI ontology 916
    chemical entity 916
      molecular entity 914
        ion 130
          anion 97
            organic anion 20
              carboxylic acid anion 18
                monocarboxylic acid anion 8
                  hydroxy monocarboxylic acid anion 0
                    pentalenate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 916
    subatomic particle 901
      composite particle 901
        hadron 901
          baryon 901
            nucleon 901
              atomic nucleus 901
                atom 901
                  main group element atom 870
                    p-block element atom 867
                      carbon group element atom 843
                        carbon atom 842
                          organic molecular entity 842
                            organic ion 58
                              organic anion 20
                                carboxylic acid anion 18
                                  monocarboxylic acid anion 8
                                    hydroxy monocarboxylic acid anion 0
                                      pentalenate 0
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