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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:carlosic acid
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Accession:CHEBI:133953 term browser browse the term
Definition:A tetronic acid derivative that is furan-2(5H)-one which is substituted at positions 3, 4, and 5 by butanoyl, hydroxy, and carboxymethyl groups, respectively (the S enantiomer).
Synonyms:exact_synonym: [(2S)-4-butanoyl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetic acid;   [(2S)-4-butyryl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
 related_synonym: (S)-carlosic acid;   Formula=C10H12O6;   InChI=1S/C10H12O6/c1-2-3-5(11)8-9(14)6(4-7(12)13)16-10(8)15/h6,14H,2-4H2,1H3,(H,12,13)/t6-/m0/s1;   InChIKey=FTXHMBAGOBNRPN-LURJTMIESA-N;   SMILES=[C@@H]1(C(=C(C(O1)=O)C(CCC)=O)O)CC(O)=O
 xref: CAS:33404-61-4;   Chemspider:34485443;   PMID:13867384;   PMID:16745739;   PMID:19847338;   PMID:25044953;   Pubchem:54687841;   Reaxys:3614683

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Term Annotations click to browse term
  CHEBI ontology 19771
    chemical entity 19771
      group 19689
        inorganic group 19168
          oxo group 18505
            organic oxo compound 18505
              carbonyl compound 18505
                ketone 16829
                  carlosic acid 0
                    carlosic acid methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        monocarboxylic acid 17530
                                          aldonic acid 58
                                            tetronic acid 7
                                              tetronic acid derivative 6
                                                carlosic acid 0
                                                  carlosic acid methyl ester 0
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