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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:acryloyl-CoA
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Accession:CHEBI:15513 term browser browse the term
Definition:The S-acryloyl derivative of coenzyme A.
Synonyms:related_synonym: 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(prop-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate);   Acryloyl-coenzyme A;   Acrylyl-coa;   Coenzyme A, S-2-propenoate;   Propenoyl-CoA
 alt_id: CHEBI:13722;   CHEBI:26301;   CHEBI:8488
 xref: Beilstein:78117;   CAS:5776-58-9
 xref_mesh: MESH:C047011
 xref: kegg.compound:C00894;   umbbd.compound:c0150
 chemrof_formula: C24H38N7O17P3S
 chemrof_smiles: C=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
 chemrof_inchi: InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1
 chemrof_inchikey: POODSGUMUCVRTR-IEXPHMLFSA-N
 cyclic_relationship: has_functional_parent CHEBI:15346;   has_functional_parent CHEBI:18308;   is_conjugate_acid_of CHEBI:57367


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acryloyl-CoA term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Echs1 enoyl-CoA hydratase, short chain 1 increases abundance ISO ECHS1 gene mutant form results in increased abundance of acryloyl-coenzyme A CTD PMID:25125611 NCBI chr 1:204,324,679...204,333,506
Ensembl chr 1:204,324,682...204,333,506 		JBrowse link
G Hibch 3-hydroxyisobutyryl-CoA hydrolase increases abundance ISO HIBCH gene mutant form results in increased abundance of acryloyl-coenzyme A CTD PMID:25125611 NCBI chr 9:56,082,082...56,161,796
Ensembl chr 9:56,082,091...56,161,886 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      chemical role 20219
        donor 17885
          acyl donor 29
            acyl-CoA 29
              fatty acyl-CoA 16
                unsaturated fatty acyl-CoA 5
                  monounsaturated fatty acyl-CoA 5
                    acryloyl-CoA 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                organic heterocyclic compound 19381
                                  organic heteropolycyclic compound 18616
                                    organic heterobicyclic compound 17442
                                      imidazopyrimidine 7638
                                        purines 7637
                                          aminopurine 535
                                            6-aminopurines 406
                                              acyl-CoA 29
                                                fatty acyl-CoA 16
                                                  unsaturated fatty acyl-CoA 5
                                                    monounsaturated fatty acyl-CoA 5
                                                      acryloyl-CoA 2
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