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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:lauroyl-CoA
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Accession:CHEBI:15521 term browser browse the term
Definition:A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lauric (dodecanoic) acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(dodecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
 related_synonym: C12:0-CoA;   Dodecanoyl-CoA;   Formula=C33H58N7O17P3S;   InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1;   InChIKey=YMCXGHLSVALICC-GMHMEAMDSA-N;   Lauroyl-coenzyme A;   SMILES=CCCCCCCCCCCC(=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)N1C=NC2=C1N=CN=C2N;   coenzyme A, S-dodecanoate;   dodecanoyl-coenzyme A
 alt_id: CHEBI:14188;   CHEBI:14501;   CHEBI:25014;   CHEBI:41874;   CHEBI:6392
 xref: CAS:6244-92-4;   Chemspider:145018;   DrugBank:DB03264;   FooDB:FDB023198;   HMDB:HMDB0003571;   KEGG:C01832;   LIPID_MAPS_instance:LMFA07050340
 xref_mesh: MESH:C050466
 xref: PDBeChem:DCC;   PMID:10652339;   PMID:1263766;   PMID:15713483;   PMID:15849423;   PMID:16021622;   PMID:16665518;   PMID:21349973;   PMID:22906002;   PMID:24356978;   PMID:27815501;   PMID:30948713;   PMID:31935250;   PMID:33885999;   PMID:3778940;   PMID:627552;   PMID:7551821;   Reaxys:8033507;   UM-BBD_compID:c0567
 cyclic_relationship: is_conjugate_acid_of CHEBI:57375


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          antibacterial agent 0
            dodecanoic acid 0
              lauroyl-CoA 0
                (S)-3-hydroxylauroyl-CoA 0
                3-oxolauroyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                pnictogen oxoacid 0
                                  phosphorus oxoacid 0
                                    phosphoric acids 0
                                      phosphoric acid 0
                                        phosphoric acid derivative 0
                                          phosphate 0
                                            organic phosphate 0
                                              carbohydrate phosphate 0
                                                phospho sugar 0
                                                  aldose phosphate 0
                                                    aldopentose phosphate 0
                                                      ribose phosphate 0
                                                        ribonucleotide 0
                                                          purine ribonucleotide 0
                                                            adenyl ribonucleotide 0
                                                              adenosine phosphate 0
                                                                adenosine 5'-phosphate 0
                                                                  ADP 0
                                                                    coenzyme A 0
                                                                      acyl-CoA 0
                                                                        fatty acyl-CoA 0
                                                                          medium-chain fatty acyl-CoA 0
                                                                            lauroyl-CoA 0
                                                                              (S)-3-hydroxylauroyl-CoA 0
                                                                              3-oxolauroyl-CoA 0
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