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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 398
    chemical entity 398
      molecular entity 398
        ion 27
          anion 22
            organic anion 8
              carboxylic acid anion 6
                monocarboxylic acid anion 3
                  hydroxy monocarboxylic acid anion 3
                    pentalenate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 398
    subatomic particle 398
      composite particle 398
        hadron 398
          baryon 398
            nucleon 398
              atomic nucleus 398
                atom 398
                  main group element atom 391
                    p-block element atom 391
                      carbon group element atom 380
                        carbon atom 379
                          organic molecular entity 379
                            organic ion 19
                              organic anion 8
                                carboxylic acid anion 6
                                  monocarboxylic acid anion 3
                                    hydroxy monocarboxylic acid anion 3
                                      pentalenate 0
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