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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:methylmalonyl-CoA
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Accession:CHEBI:16625 term browser browse the term
Definition:A member of the class of malonyl-CoAs that is malonyl-CoA carrying a methyl group on the malony side chain.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) dihydrogen diphosphate]
 related_synonym: 2-Methylmalonyl-CoA;   2-methyl-3-oxopropanoyl-CoAs;   Formula=C25H40N7O19P3S;   InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1;   InChIKey=MZFOKIKEPGUZEN-FBMOWMAESA-N;   Methylmalonyl coemzyme A;   Methylmalonyl coenzyme A;   SMILES=CC(C(O)=O)C(=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
 alt_id: CHEBI:14604;   CHEBI:19683;   CHEBI:6882
 xref: CAS:1264-45-5;   HMDB:HMDB0001269;   KEGG:C02557;   MetaCyc:Methylmalonyl-CoA;   PDBeChem:MCA;   PMID:24329397;   PMID:24568291;   Reaxys:78364;   Wikipedia:Methylmalonyl-CoA
 cyclic_relationship: is_conjugate_acid_of CHEBI:59916


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      chemical role 19451
        donor 18913
          acyl donor 29
            acyl-CoA 29
              malonyl-CoAs 2
                methylmalonyl-CoA 0
                  (R)-methylmalonyl-CoA 0
                  (S)-methylmalonyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      chalcogen 19545
                        oxygen atom 19520
                          oxygen molecular entity 19520
                            hydroxides 19332
                              oxoacid 18768
                                pnictogen oxoacid 13221
                                  phosphorus oxoacid 12425
                                    phosphoric acids 11425
                                      phosphoric acid 11425
                                        phosphoric acid derivative 11234
                                          phosphate 11233
                                            organic phosphate 11233
                                              carbohydrate phosphate 1856
                                                phospho sugar 1701
                                                  aldose phosphate 1698
                                                    aldopentose phosphate 1690
                                                      ribose phosphate 1685
                                                        ribonucleotide 1646
                                                          purine ribonucleotide 1613
                                                            adenyl ribonucleotide 1304
                                                              adenosine phosphate 296
                                                                adenosine 5'-phosphate 295
                                                                  ADP 88
                                                                    coenzyme A 29
                                                                      acyl-CoA 29
                                                                        malonyl-CoAs 2
                                                                          methylmalonyl-CoA 0
                                                                            (R)-methylmalonyl-CoA 0
                                                                            (S)-methylmalonyl-CoA 0
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