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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:S-hexanoyl-4'-phosphopantetheine
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Accession:CHEBI:132311 term browser browse the term
Definition:An S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of hexanoic acid.
Synonyms:exact_synonym: S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
 related_synonym: Formula=C17H33N2O8PS;   InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/t15-/m0/s1;   InChIKey=KGMBPSVUBJAAEN-HNNXBMFYSA-N;   S-caproyl-4'-phosphopantetheine;   S-caproyl-D-pantetheine 4'-phosphate;   S-hexanoyl-D-pantetheine 4'-phosphate;   SMILES=C(NC(CCNC(=O)[C@@H](C(COP(O)(=O)O)(C)C)O)=O)CSC(=O)CCCCC;   caproyl-4'-phosphopantetheine;   hexanoyl-4'-phosphopantetheine
 xref: PMID:18799520
 cyclic_relationship: is_conjugate_acid_of CHEBI:132012


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          cofactor 16165
            pantetheine 4'-phosphate 0
              D-pantetheine 4'-phosphate 0
                S-acyl-4'-phosphopantetheine 0
                  S-hexanoyl-4'-phosphopantetheine 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
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            inorganic hydride 18114
                              pnictogen hydride 18103
                                nitrogen hydride 18010
                                  azane 17819
                                    ammonia 17818
                                      organic amino compound 17818
                                        amino acid 15944
                                          non-proteinogenic amino acid 3986
                                            beta-amino acid 204
                                              beta-alanine 60
                                                beta-alanine derivative 60
                                                  pantothenic acids 32
                                                    pantetheines 0
                                                      phosphopantetheine 0
                                                        pantetheine 4'-phosphate 0
                                                          D-pantetheine 4'-phosphate 0
                                                            S-acyl-4'-phosphopantetheine 0
                                                              S-hexanoyl-4'-phosphopantetheine 0
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