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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 9:79,601,937...79,630,547
Ensembl chr 9:79,601,901...79,630,536
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        biochemical role 19282
          cofactor 15531
            coenzyme 854
              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 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      chalcogen 19362
                        oxygen atom 19323
                          oxygen molecular entity 19323
                            hydroxides 19068
                              oxoacid 18193
                                pnictogen oxoacid 10146
                                  phosphorus oxoacid 9033
                                    phosphoric acids 7795
                                      phosphoric acid 7795
                                        phosphoric acid derivative 7474
                                          phosphate 7474
                                            organic phosphate 7473
                                              carbohydrate phosphate 1529
                                                phospho sugar 1455
                                                  aldose phosphate 1453
                                                    aldopentose phosphate 1447
                                                      ribose phosphate 1441
                                                        ribonucleotide 1402
                                                          purine ribonucleotide 1375
                                                            adenyl ribonucleotide 1244
                                                              adenosine phosphate 250
                                                                adenosine 5'-phosphate 249
                                                                  ADP 83
                                                                    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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