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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 19810
    role 19758
      biological role 19758
        biochemical role 19304
          cofactor 15550
            coenzyme 856
              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 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      chalcogen 19391
                        oxygen atom 19353
                          oxygen molecular entity 19353
                            hydroxides 19103
                              oxoacid 18235
                                pnictogen oxoacid 10181
                                  phosphorus oxoacid 9072
                                    phosphoric acids 7831
                                      phosphoric acid 7831
                                        phosphoric acid derivative 7511
                                          phosphate 7511
                                            organic phosphate 7510
                                              carbohydrate phosphate 1536
                                                phospho sugar 1462
                                                  aldose phosphate 1460
                                                    aldopentose phosphate 1454
                                                      ribose phosphate 1448
                                                        ribonucleotide 1409
                                                          purine ribonucleotide 1381
                                                            adenyl ribonucleotide 1250
                                                              adenosine phosphate 256
                                                                adenosine 5'-phosphate 255
                                                                  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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