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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 Annotations click to browse term
  CHEBI ontology 19761
    role 19711
      biological role 19711
        biochemical role 19301
          cofactor 15546
            coenzyme 881
              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 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      chalcogen 19382
                        oxygen atom 19345
                          oxygen molecular entity 19345
                            hydroxides 19071
                              oxoacid 18269
                                pnictogen oxoacid 10312
                                  phosphorus oxoacid 9233
                                    phosphoric acids 7953
                                      phosphoric acid 7953
                                        phosphoric acid derivative 7632
                                          phosphate 7632
                                            organic phosphate 7631
                                              carbohydrate phosphate 1715
                                                phospho sugar 1640
                                                  aldose phosphate 1638
                                                    aldopentose phosphate 1632
                                                      ribose phosphate 1627
                                                        ribonucleotide 1588
                                                          purine ribonucleotide 1560
                                                            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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