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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:hexanoyl-CoA
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Accession:CHEBI:27540 term browser browse the term
Definition:A medium-chain fatty acyl-CoA having hexanoyl as the S-acyl group.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
 related_synonym: Coenzyme A, S-hexanoate;   Formula=C27H46N7O17P3S;   Hexanoyl-coenzyme A;   InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1;   InChIKey=OEXFMSFODMQEPE-HDRQGHTBSA-N;   S-Hexanoyl-coenzym-A;   S-hexanoyl-CoA;   S-hexanoyl-coenzyme-A;   SMILES=CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12;   caproyl-CoA;   caproyl-coenzyme A;   n-hexanoyl-CoA;   n-hexanoyl-coenzyme A
 alt_id: CHEBI:24575;   CHEBI:43306;   CHEBI:5703
 xref: Beilstein:78347;   CAS:5060-32-2;   DrugBank:DB02563;   HMDB:HMDB0002845;   KEGG:C05270
 xref_mesh: MESH:C044181
 xref: PDBeChem:HXC;   PMID:18215412;   PMID:19391105;   PMID:19501572;   PMID:19581347;   PMID:7370014;   PMID:7988059;   Reaxys:78347
 cyclic_relationship: is_conjugate_acid_of CHEBI:62620



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hexanoyl-CoA term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Pecr peroxisomal trans-2-enoyl-CoA reductase multiple interactions ISO [hexanoyl-coenzyme A co-treated with NADP] binds to PECR protein CTD PMID:25526675 NCBI chr 9:73,897,877...73,926,511
Ensembl chr 9:73,897,880...73,926,511
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19795
    role 19746
      biological role 19746
        biochemical role 19361
          cofactor 15797
            coenzyme 912
              coenzyme A 28
                hexanoyl-CoA 1
                  3-hydroxy-5-oxohexanoyl-CoA 0
                  3-oxohexanoyl-CoA 0
                  adipoyl-CoA + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19795
    subatomic particle 19794
      composite particle 19794
        hadron 19794
          baryon 19794
            nucleon 19794
              atomic nucleus 19794
                atom 19794
                  main group element atom 19693
                    p-block element atom 19693
                      chalcogen 19445
                        oxygen atom 19418
                          oxygen molecular entity 19418
                            hydroxides 19152
                              oxoacid 18466
                                pnictogen oxoacid 10732
                                  phosphorus oxoacid 9727
                                    phosphoric acids 8535
                                      phosphoric acid 8535
                                        phosphoric acid derivative 8241
                                          phosphate 8241
                                            organic phosphate 8240
                                              carbohydrate phosphate 1738
                                                phospho sugar 1663
                                                  aldose phosphate 1661
                                                    aldopentose phosphate 1653
                                                      ribose phosphate 1648
                                                        ribonucleotide 1611
                                                          purine ribonucleotide 1584
                                                            adenyl ribonucleotide 1288
                                                              adenosine phosphate 279
                                                                adenosine 5'-phosphate 278
                                                                  ADP 87
                                                                    coenzyme A 28
                                                                      acyl-CoA 28
                                                                        fatty acyl-CoA 16
                                                                          medium-chain fatty acyl-CoA 3
                                                                            hexanoyl-CoA 1
                                                                              3-hydroxy-5-oxohexanoyl-CoA 0
                                                                              3-oxohexanoyl-CoA 0
                                                                              adipoyl-CoA + 0
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