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acetoacetyl-CoA (Q2639429)

From Wikidata
chemical compound
  • 3-acetoacetyl-CoA
  • acetoacetyl coenzyme A
  • acetoacetyl-coenzyme a
  • S-acetoacetyl-coenzyme A
  • S-acetoacetyl-CoA
  • 3-Acetoacetyl-CoA
  • S-Acetoacetyl-coenzym A
  • Acetoacetyl-Coenzyme A
  • Acetoacetyl coenzyme A
  • Acetoacetyl-CoA
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Language Label Description Also known as
default for all languages
No label defined
    English
    acetoacetyl-CoA
    chemical compound
    • 3-acetoacetyl-CoA
    • acetoacetyl coenzyme A
    • acetoacetyl-coenzyme a
    • S-acetoacetyl-coenzyme A
    • S-acetoacetyl-CoA
    • 3-Acetoacetyl-CoA
    • S-Acetoacetyl-coenzym A
    • Acetoacetyl-Coenzyme A
    • Acetoacetyl coenzyme A
    • Acetoacetyl-CoA

    Statements

    mass
    851.136 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    92153
    language of work or name
    English
    title
    acetoacetyl-CoA (English)
    retrieved
    19 October 2016
    chemical formula
    C₂₅H₄₀N₇O₁₈P₃S
    1 reference
    stated in
    PubChem
    PubChem CID
    92153
    language of work or name
    English
    title
    acetoacetyl-CoA (English)
    retrieved
    19 October 2016
    canonical SMILES
    CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
    1 reference
    stated in
    PubChem
    PubChem CID
    92153
    language of work or name
    English
    title
    acetoacetyl-CoA (English)
    retrieved
    19 October 2016
    isomeric SMILES
    CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
    1 reference
    stated in
    PubChem
    PubChem CID
    92153
    language of work or name
    English
    title
    acetoacetyl-CoA (English)
    retrieved
    19 October 2016

    Identifiers

    Reaxys registry number
    78273
    1 reference
    stated in
    ChEBI
    ChEBI ID
    15345
    language of work or name
    English
    title
    acetoacetyl-CoA (English)
    retrieved
    19 October 2016
    EC number
    215-815-9
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.014.378
    retrieved
    27 December 2018
    title
    S-acetoacetylcoenzyme A (English)
    quotation
    CAS no.: 1420-36-6 (English)
    ECHA Substance Infocard ID
    100.014.378
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.014.378
    retrieved
    27 December 2018
    title
    S-acetoacetylcoenzyme A (English)
    quotation
    CAS no.: 1420-36-6 (English)
    UM-BBD compound ID
    c0229
    0 references
    KEGG ID
    C00332
    0 references
    PDB ligand ID
    CAA
    0 references
    PDB structure ID
     
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