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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-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid
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Accession:CHEBI:41254 term browser browse the term
Definition:A furoic acid that is furan-3-carboxylic acid substituted by a methyl group at position 4, a propyl group at position 5 and a 2-carboxyethyl group at position 2. It is a potent uremic toxin that has been found to accumulate in human serum of patients with chronic kidney diseases.
Synonyms:related_synonym: 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid;   CMPF;   Formula=C12H16O5;   InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16);   InChIKey=WMCQWXZMVIETAO-UHFFFAOYSA-N;   SMILES=CCCc1oc(CCC(O)=O)c(C(O)=O)c1C
 xref: CAS:86879-39-2;   HMDB:HMDB0061112;   PDBeChem:C1F;   PMID:8787801;   Reaxys:8151669
 cyclic_relationship: is_conjugate_acid_of CHEBI:194524;   is_conjugate_acid_of CHEBI:82986



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      biological role 19808
        poison 18611
          toxin 15975
            uremic toxin 62
              2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic group 18947
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18879
                                    carbonyl compound 18879
                                      carboxylic acid 18605
                                        monocarboxylic acid 17948
                                          furoic acid 18
                                            2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid 0
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