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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:S-nitroso-coenzyme A
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Accession:CHEBI:229721 term browser browse the term
Definition:A nitrosothio compound that is coenzyme A in which the thiol group is replaced by a nitrososulfanediyl group.
Synonyms:exact_synonym: [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nitrososulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate
 related_synonym: Formula=C21H35N8O17P3S;   InChI=1S/C21H35N8O17P3S/c1-21(2,16(32)19(33)24-4-3-12(30)23-5-6-50-28-34)8-43-49(40,41)46-48(38,39)42-7-11-15(45-47(35,36)37)14(31)20(44-11)29-10-27-13-17(22)25-9-26-18(13)29/h9-11,14-16,20,31-32H,3-8H2,1-2H3,(H,23,30)(H,24,33)(H,38,39)(H,40,41)(H2,22,25,26)(H2,35,36,37)/t11-,14-,15-,16+,20-/m1/s1;   InChIKey=CNWRHTNOZSOAKE-IBOSZNHHSA-N;   S-nitroso-CoA;   S-nitrosocoenzyme A;   SMILES=CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSN=O
 xref: CAS:82494-50-6;   PMID:1472969;   PMID:16861050;   PMID:2175799;   PMID:25512491;   PMID:30487609;   PMID:31089212;   PMID:31649033;   PMID:36266351;   PMID:37027003;   PMID:38056462;   PMID:38159293;   PMID:8243559
 cyclic_relationship: is_conjugate_acid_of CHEBI:145546


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  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          nitroso group 0
            nitroso compound 0
              nitrosothio compound 0
                S-nitroso-coenzyme A 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
                                                                      S-nitroso-coenzyme A 0
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