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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:3-oxotriacontanoyl-CoA
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Accession:CHEBI:74355 term browser browse the term
Definition:A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxotriacontanoic acid (3-oxomelissic acid).
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxotriacontanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
 related_synonym: 3-ketomelissoyl-CoA;   3-ketomelissoyl-coenzyme A;   3-ketotriacontanoyl-CoA;   3-ketotriacontanoyl-coenzyme A;   3-oxomelissoyl-CoA;   3-oxomelissoyl-coenzyme A;   3-oxotriacontanoyl-coenzyme A;   Formula=C51H92N7O18P3S;   InChI=1S/C51H92N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h37-38,40,44-46,50,62-63H,4-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/t40-,44-,45-,46+,50-/m1/s1;   InChIKey=ZNUFFDLELVUGGI-XFQHPCEUSA-N;   SMILES=CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=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
 cyclic_relationship: is_conjugate_acid_of CHEBI:74228


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      chemical role 19288
        donor 18421
          acyl donor 28
            acyl-CoA 28
              fatty acyl-CoA 16
                very long-chain fatty acyl-CoA 0
                  ultra-long-chain fatty acyl-CoA 0
                    3-oxotriacontanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      chalcogen 19399
                        oxygen atom 19361
                          oxygen molecular entity 19361
                            hydroxides 19107
                              oxoacid 18241
                                pnictogen oxoacid 10179
                                  phosphorus oxoacid 9071
                                    phosphoric acids 7830
                                      phosphoric acid 7830
                                        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
                                                                          very long-chain fatty acyl-CoA 0
                                                                            ultra-long-chain fatty acyl-CoA 0
                                                                              3-oxotriacontanoyl-CoA 0
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