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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:2-caffeoylisocitric acid
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Accession:CHEBI:16166 term browser browse the term
Definition:The 2-caffeoyl derivative of isocitric acid.
Synonyms:exact_synonym: 1-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid
 related_synonym: (E)-Caffeoylisocitrate;   2-Caffeoylisocitrate;   Formula=C15H14O10;   InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2-;   InChIKey=KYSQDMNDMYECNZ-RQOWECAXSA-N;   SMILES=OC(=O)CC(C(OC(=O)\\C=C/c1ccc(O)c(O)c1)C(O)=O)C(O)=O
 alt_id: CHEBI:1031;   CHEBI:11533;   CHEBI:19489
 xref: KEGG:C02927
 cyclic_relationship: is_conjugate_acid_of CHEBI:57663


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      biological role 19818
        biochemical role 19525
          metabolite 19512
            fundamental metabolite 14444
              isocitric acid 0
                2-caffeoylisocitric acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbon oxoacid 18634
                                    carboxylic acid 18631
                                      tricarboxylic acid 2497
                                        isocitric acid 0
                                          2-caffeoylisocitric acid 0
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