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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:(1-oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate
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Accession:CHEBI:184384 term browser browse the term
Definition:An aminooxyl that is pyrroline substituted by an oxidanediyl group at position 1, by methyl groups at positions 2, 2, 5 and 5, and by a [(methylsulfonyl)sulfanyl]methyl group at position 3. It is a highly reactive thiol-specific spin label.
Synonyms:exact_synonym: (2,2,5,5-tetramethyl-3-{[(methylsulfonyl)sulfanyl]methyl}-2,5-dihydro-1H-pyrrol-1-yl)oxidanyl
 related_synonym: (1-oxyl-2,2,5,5-tetramethyl-3-pyrroline-3-methyl)methanethiosulfonate;   (1-oxyl-2,2,5,5-tetramethyl-Delta3-pyrroline-3-methyl)methanethiosulfonate;   2,5-dihydro-2,2,5,5-tetramethyl-3-[[(methylsulfonyl)thio]methyl]-1H-pyrrol-1-yloxy;   Formula=C10H18NO3S2;   InChI=1S/C10H18NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6H,7H2,1-5H3;   InChIKey=BLSCGBLQCTWVPO-UHFFFAOYSA-N;   MTS (spin label);   MTSL;   MTSSL;   SMILES=CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1[O]
 alt_id: CHEBI:44172
 xref: CAS:81213-52-7;   Chemspider:117873;   PDBeChem:MTN;   PMCID:PMC8550513;   PMID:18042415;   PMID:22917445;   PMID:30686862;   PMID:34776648;   Wikipedia:MTSL


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Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      application 20621
        label 7565
          spin label 1
            (1-oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    p-block element atom 20781
                      carbon group element atom 20715
                        carbon atom 20710
                          organic molecular entity 20710
                            organic molecule 20654
                              organic cyclic compound 20404
                                organic heterocyclic compound 19388
                                  organic heteromonocyclic compound 18212
                                    pyrroline 17
                                      (1-oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate 0
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