Thiamin Diphosphate (Q27093081)

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chemical compound
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Language Label Description Also known as
English
Thiamin Diphosphate
chemical compound

    Statements

    mass
    424.037±0 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    5431
    language of work or name
    English
    title
    thiamin diphosphate (English)
    retrieved
    19 October 2016
    chemical formula
    C₁₂H₁₈N₄O₇P₂S
    1 reference
    stated in
    PubChem
    PubChem CID
    5431
    language of work or name
    English
    title
    thiamin diphosphate (English)
    retrieved
    19 October 2016
    canonical SMILES
    CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-]
    1 reference
    stated in
    PubChem
    PubChem CID
    5431
    language of work or name
    English
    title
    thiamin diphosphate (English)
    retrieved
    19 October 2016
    isomeric SMILES
    Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-]
    1 reference
    stated in
    RCSB protein data bank
    PDB ligand ID
    TDP
    language of work or name
    English
    retrieved
    16 February 2021

    Identifiers

    ChemSpider ID
    5238
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    5238
    language of work or name
    English
    title
    thiamine diphosphate (English)
    retrieved
    19 October 2016
    PubChem CID
    5431
    1 reference
    stated in
    PubChem
    PubChem CID
    5431
    language of work or name
    English
    title
    thiamin diphosphate (English)
    retrieved
    19 October 2016
    Reaxys registry number
    3875902
    0 references
    ChEBI ID
    45931
    mapping relation type
    exact match
    1 reference
    stated in
    ChEBI
    ChEBI ID
    45931
    language of work or name
    English
    title
    thiamine(1+) diphosphate(1-) (English)
    retrieved
    19 October 2016
    EC number
    205-836-1
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.005.307
    retrieved
    27 December 2018
    title
    Cocarboxylase (English)
    quotation
    CAS no.: 154-87-0 (English)
    CosIng number
    60297
    1 reference
    stated in
    CosIng database
    CosIng number
    60297
    retrieved
    28 December 2019
    title
    THIAMINE DIPHOSPHATE (English)
    quotation
    CAS no.: 154-87-0 (English)
    DrugBank ID
    01987
    1 reference
    stated in
    DrugBank
    DrugBank ID
    01987
    language of work or name
    English
    title
    Thiamin Diphosphate (English)
    retrieved
    19 October 2016
    UNII
    XMK8K8EVIU
    1 reference
    stated in
    DrugBank
    DrugBank ID
    01987
    language of work or name
    English
    title
    Thiamin Diphosphate (English)
    retrieved
    19 October 2016
    PDB ligand ID
    TDP
    0 references
    PDB structure ID
     
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