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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24845
    chemical entity 24815
      molecular entity 24781
        ion 17366
          anion 16137
            organic anion 3212
              carboxylic acid anion 2474
                monocarboxylic acid anion 1570
                  hydroxy monocarboxylic acid anion 70
                    pentalenate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24845
    subatomic particle 24805
      composite particle 24805
        hadron 24805
          baryon 24805
            nucleon 24805
              atomic nucleus 24805
                atom 24805
                  main group element atom 24674
                    p-block element atom 24674
                      carbon group element atom 24472
                        carbon atom 24436
                          organic molecular entity 24436
                            organic ion 9457
                              organic anion 3212
                                carboxylic acid anion 2474
                                  monocarboxylic acid anion 1570
                                    hydroxy monocarboxylic acid anion 70
                                      pentalenate 0
paths to the root