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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19720
      biological role 19720
        biochemical role 19310
          cofactor 15544
            coenzyme 882
              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 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      chalcogen 19391
                        oxygen atom 19354
                          oxygen molecular entity 19354
                            hydroxides 19077
                              oxoacid 18278
                                pnictogen oxoacid 10308
                                  phosphorus oxoacid 9229
                                    phosphoric acids 7949
                                      phosphoric acid 7949
                                        phosphoric acid derivative 7630
                                          phosphate 7630
                                            organic phosphate 7629
                                              carbohydrate phosphate 1713
                                                phospho sugar 1638
                                                  aldose phosphate 1636
                                                    aldopentose phosphate 1630
                                                      ribose phosphate 1625
                                                        ribonucleotide 1586
                                                          purine ribonucleotide 1558
                                                            adenyl ribonucleotide 1258
                                                              adenosine phosphate 265
                                                                adenosine 5'-phosphate 264
                                                                  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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