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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:sch 210972(2-)
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Accession:CHEBI:167897 term browser browse the term
Definition:A hydroxy monocarboxylic acid anion that is the conjugate base of sch 210972 resulting from the deprotonation of the carboxy and hydroxy groups. Major microspecies at pH 7.3.
Synonyms:exact_synonym: (2S)-3-{(2S,4Z)-4-[{(1R,2S,4aR,6S,8R,8aS)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(oxido)methylidene]-3,5-dioxopyrrolidin-2-yl}-2-hydroxy-2-methylpropanoate
 related_synonym: Formula=C25H33NO6;   InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/p-2/b13-6+,22-20-/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1;   InChIKey=AVZATKWNGXCSDN-IIRHHVPJSA-L;   SMILES=[H][C@]12C[C@@H](C)C[C@@H](C)[C@]1([H])[C@@H](\\C([O-])=C1\\C(=O)N[C@@H](C[C@](C)(O)C([O-])=O)C1=O)[C@]([H])(C=C2)C(\\C)=C\\C;   sch 210972;   sch 210972 dianion
 xref: PMID:26360642
 cyclic_relationship: is_conjugate_base_of CHEBI:68749


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    chemical entity 19829
      molecular entity 19829
        ion 16707
          anion 16084
            organic anion 3613
              carboxylic acid anion 2480
                monocarboxylic acid anion 1591
                  hydroxy monocarboxylic acid anion 76
                    sch 210972(2-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            organic ion 9870
                              organic anion 3613
                                carboxylic acid anion 2480
                                  monocarboxylic acid anion 1591
                                    hydroxy monocarboxylic acid anion 76
                                      sch 210972(2-) 0
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