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trabectedin English (Q2637746)

Item Discussion
chemical compound
edit
Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    Freebase ID
    /m/026wdkz
    1 reference
    stated in
    Q15241312 (Deleted Item)
    publication date
    28 October 2013
    instance of
    chemical compound
    0 references
    pharmaceutical drug
    0 references
    Q73266145 (Deleted Item)
    1 reference
    inferred from
    Q73266145 (Deleted Item)
    CAS registry number
    114899-77-3
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    ID0YZQ2TCP
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    18 November 2016
    InChIKey
    PKVRCIRHQMSYJX-AIFWHQITSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    10 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=114899-77-3
    PubChem CID
    108150
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    108150
    language of work or name
    English
    title
    Trabectedin (English)
    retrieved
    18 November 2016
    89263850
    1 reference
    stated in
    Q278487 (Deleted Item)
    retrieved
    17 September 2022
    based on heuristic
    Q113993940 (Deleted Item)
    chemical formula
    C₃₉H₄₃N₃O₁₁S
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    108150
    language of work or name
    English
    title
    Trabectedin (English)
    retrieved
    18 November 2016
    InChI
    InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    108150
    language of work or name
    English
    title
    Trabectedin (English)
    retrieved
    18 November 2016
    InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39-/m0/s1
    0 references
    InChIKey
    PKVRCIRHQMSYJX-AIFWHQITSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    108150
    language of work or name
    English
    title
    Trabectedin (English)
    retrieved
    18 November 2016
    stated in
    Q98915402 (Deleted Item)
    PKVRCIRHQMSYJX-JTMADDJTSA-N
    0 references
    DrugBank ID English
    05109
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    05109
    language of work or name
    English
    title
    Trabectedin (English)
    retrieved
    18 November 2016
    KEGG ID English
    D06199
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    84050
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    19 October 2016
    C16875
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    84050
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    19 October 2016
    UNII English
    ID0YZQ2TCP
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    ID0YZQ2TCP
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    18 November 2016
    ATC code English
    L01CX01
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    05109
    language of work or name
    English
    title
    Trabectedin (English)
    publication date
    17 November 2015
    ChEMBL ID
    CHEMBL450449
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL450449
    language of work or name
    English
    title
    CHEMBL450449 (English)
    retrieved
    18 November 2016
    ChEBI ID
    84050
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL450449
    language of work or name
    English
    title
    CHEMBL450449 (English)
    retrieved
    18 November 2016
    ChemSpider ID
    97236
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    97236
    language of work or name
    English
    title
    Trabectedin (English)
    retrieved
    19 October 2016
    Guide to Pharmacology Ligand ID English
    2774
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    2774
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    18 November 2016
    SMILES
    CC1=C(C(=C2C3C4C5C6=C(C(N4C(C(N3C)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    108150
    language of work or name
    English
    title
    Trabectedin (English)
    retrieved
    18 November 2016
    O=C(OC=1C(=C2OCOC2=C3C1C4SCC5(NCCC6=CC(O)=C(OC)C=C65)C(=O)OCC3N7C(O)C8N(C)C(C9=C(O)C(OC)=C(C=C9C8)C)C74)C)C
    0 references
    isomeric SMILES
    CC1=C(C(=C2[C@@H]3[C@@H]4[C@H]5C6=C([C@@H](N4[C@H]([C@@H](N3C)CC2=C1)O)COC(=O)[C@@]7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    108150
    language of work or name
    English
    title
    Trabectedin (English)
    retrieved
    18 November 2016
    COc1cc2c(cc1O)CCN[C@@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4
    0 references
    ECHA InfoCard ID
    100.223.368
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.223.368
    retrieved
    27 December 2018
    title
    (1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetate (English)
    quotation
    CAS no.: 114899-77-3 (English)
    World Health Organisation international non-proprietary name English
    trabectedin (English)
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    84050
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    19 October 2016
    Reaxys registry number English
    7617615
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    84050
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    19 October 2016
    mass
    761.262 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    108150
    language of work or name
    English
    title
    Trabectedin (English)
    retrieved
    18 November 2016
    761.8398 http://www.wikidata.org/entity/Q483261
    1 reference
    based on heuristic
    Q113907573 (Deleted Item)
    UMLS CUI English
    C1311070
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    ID0YZQ2TCP
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    18 November 2016
    NDF-RT ID English
    N0000192135
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    ID0YZQ2TCP
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    18 November 2016
    RxNorm ID English
    1716278
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    ID0YZQ2TCP
    language of work or name
    English
    title
    trabectedin (English)
    retrieved
    18 November 2016
    DSSTox substance ID English
    DTXSID2046880
    1 reference
    stated in
    Q28061352 (Deleted Item)
    active ingredient in English
    Q29006707 (Deleted Item)
    1 reference
    stated in
    RxNorm English
    RxNorm ID English
    1718590
    retrieved
    14 February 2018
    subject has role
    Q17172594 (Deleted Item)
    1 reference
    stated in
    Q21008030 (Deleted Item)
    NDF-RT ID English
    N0000192135
    retrieved
    5 March 2018
    Q619908 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C099150
    retrieved
    15 March 2018
    EC number
    695-026-8
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.223.368
    retrieved
    27 December 2018
    title
    (1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1³,¹¹.0²,¹³.0⁴,⁹.0¹⁵,²³.0¹⁶,²⁰]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetate (English)
    quotation
    CAS no.: 114899-77-3 (English)
    Human Metabolome Database ID English
    HMDB0015609
    0 references
    physically interacts with
    Q14905076 (Deleted Item)
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    2774
    language of work or name
    English
    retrieved
    17 August 2016
    MeSH
    D000077606
    named as
    Trabectedin
    0 references
    MeSH Code
    D03.383.246.619
    0 references
    D03.633.100.531.820.781
    0 references
    LiverTox ID English
    Trabectedin
    0 references
    Microsoft Academic ID
    2780752271
    0 references
    DSSTOX compound identifier English
    DTXCID0026880
    0 references
    PDB ligand ID English
    ECT
    0 references
    found in taxon
    Ecteinascidia turbinata English
    3 references
    stated in
    Q105210695 (Deleted Item)
    stated in
    Q104935506 (Deleted Item)
    stated in
    Q105210692 (Deleted Item)
    MedlinePlus drug identifier English
    a615059
    0 references
    P11199 (Deleted Property)
    PD009337 Property P11199 not found, cannot determine the data type to use.
    0 references
    P11143 (Deleted Property)
    Trabectedin Property P11143 not found, cannot determine the data type to use.
    0 references
     
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