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Fatty acyl thioesters

Description:

Thioester derivatives of a fatty acid with the general formula RC(=O)SR', where R is the fatty acyl chain.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Fatty Acyls ⮕ Fatty acyl thioesters

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  1. Cinnamoyl-coa
    Cinnamoyl-coa
    CAS: 76109-04-1 Formula: C30H42N7O17P3S Molecular Weight: 897.7
    Out of Stock Item #: C1236914
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    Technical Identifiers
    IUPAC Name
    S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydrshow more
    SMILES
    CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=CC=C4)O
    InChIKey
    JVNVHNHITFVWIX-KZKUDURGSA-N
    InChI
    1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40show more
  2. cyclohexane-1-carbonyl-CoA
    cyclohexane-1-carbonyl-CoA
    CAS: 5960-12-3 Formula: C28H46N7O17P3S Molecular Weight: 877.700
    Out of Stock Item #: C1020417
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    Technical Identifiers
    IUPAC Name
    S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydrshow more
    SMILES
    CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4CCCCC4)O
    InChIKey
    QRSKGVRHSLILFG-TYHXJLICSA-N
    InChI
    1S/C28H46N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50show more
  3. Pimeloyl-coa
    Pimeloyl-coa
    CAS: 18907-20-5 Formula: C28H46N7O19P3S Molecular Weight: 909.7
    Out of Stock Item #: P1298044
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    Technical Identifiers
    IUPAC Name
    7-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydrshow more
    SMILES
    CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)O)O
    InChIKey
    LYCRXMTYUZDUGA-UYRKPTJQSA-N
    InChI
    1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27show more
  4. p-Coumaryl-Coenzyme A - ≥95% CAS No(119785-99-8) by Aladdin Scientific
    p-Coumaryl-Coenzyme A. Na salt
    CAS: 119785-99-8 (free basis) Formula: C30H42N7O18P3S (free basis) Molecular Weight: 913.68 (free basis)
    Solid ≥95%
    Out of Stock Item #: P769868
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    Technical Identifiers
    SMILES
    CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC=C(C=C4)O)O
    InChIKey
    DMZOKBALNZWDKI-MATMFAIHSA-N
    InChI
    1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23show more
    Synonyms
    (E)-p-Coumaroyl-CoA Na salt | (E)-S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphon...
  5. S-Methyl 3-methylbutanethioate
    S-Methyl 3-methylbutanethioate
    CAS: 23747-45-7 PubChem CID: 90246 Formula: C6H12OS Molecular Weight: 132.22
    ≥95%
    In Stock Item #: S735859
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    Technical Identifiers
    IUPAC Name
    S-methyl 3-methylbutanethioate
    SMILES
    CC(C)CC(=O)SC
    InChIKey
    MPLWTJZAFOVXKP-UHFFFAOYSA-N
    InChI
    1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
  6. Methyl 3-(2，2-dimethylbutanoylthio)propanoate - ≥95% CAS No(938063-63-9) by Aladdin Scientific
    Methyl 3-(2,2-dimethylbutanoylthio)propanoate
    CAS: 938063-63-9 EC Number: 620-518-6 PubChem CID: 44237239 Formula: C10H18O3S Molecular Weight: 218.32
    Liquid ≥95%
    Out of Stock Item #: M732083
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    Technical Identifiers
    IUPAC Name
    methyl 3-(2,2-dimethylbutanoylsulfanyl)propanoate
    SMILES
    CCC(C)(C)C(=O)SCCC(=O)OC
    InChIKey
    OSAXTZWRAGDRFI-UHFFFAOYSA-N
    InChI
    1S/C10H18O3S/c1-5-10(2,3)9(12)14-7-6-8(11)13-4/h5-7H2,1-4H3
    Synonyms
    α-dimethylbutyryl-S-methyl-mercapto propionate | 3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester
  7. propionyl-CoA
    propionyl-CoA
    CAS: 317-66-8 PubChem CID: 92753
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: P612947
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    Technical Identifiers
    IUPAC Name
    {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(propanoylsulfanyl)ethyl]carbamoyl}ethshow more
    SMILES
    CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O
    InChIKey
    QAQREVBBADEHPA-IEXPHMLFSA-N
    InChI
    1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16show more
    Synonyms
    4,6-Dichloro-2-methylsulfanylpyrimidine-5-carboxaldehyde | p-cresyl sulphate | C00100 | LMFA07050364 | UNII-H7HQA57V5...
  8. methylmalonyl-CoA
    methylmalonyl-CoA
    CAS: 1264-45-5 PubChem CID: 123909
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: M611833
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    Technical Identifiers
    IUPAC Name
    3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoshow more
    SMILES
    O=C(NCCSC(=O)C(C(=O)O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O
    InChIKey
    MZFOKIKEPGUZEN-FBMOWMAESA-N
    InChI
    1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32show more
    Synonyms
    3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydrox...
  9. [¹⁴C]acetylCoA - , used for , CAS No. C614001, by Aladdin Scientific
    [¹⁴C]acetylCoA
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: C614001
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    Technical Identifiers
    IUPAC Name
    {[(2R,3S,4R,5R)-2-({[({[(3R)-3-{[2-({2-[(1-14C)acetylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phospshow more
    SMILES
    O=C(NCCS[14C](=O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O
    InChIKey
    ZSLZBFCDCINBPY-YHBLMJDYSA-N
    InChI
    1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19show more
    Synonyms
    [¹⁴C]-acetylCoA
  10. (S)-3-hydroxy-3-methylglutaryl-CoA - , used for , CAS No. 26926-09-0, by Aladdin Scientific
    (S)-3-hydroxy-3-methylglutaryl-CoA
    CAS: 26926-09-0 PubChem CID: 445127
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: S613376
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    Technical Identifiers
    IUPAC Name
    (3S)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2show more
    SMILES
    O=C(NCCSC(=O)C[C@](CC(=O)O)(O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O
    InChIKey
    CABVTRNMFUVUDM-VRHQGPGLSA-N
    InChI
    1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25show more
    Synonyms
    S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A | S-(Hydrogen 3-hydroxy-3-methylpentanedioate | SCHEMBL1198 | S-(Hy...
  11. Acetyl-Coenzyme A trilithium salt
    Acetyl-Coenzyme A trilithium salt
    CAS: 75520-41-1 EC Number: 200-790-9 Formula: C23H35Li3N7O17P3S Molecular Weight: 827.37
    85% (Enzymatic and Absorbance), 2% (lithium)
    In Stock Item #: A466839
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    Technical Identifiers
    IUPAC Name
    trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxishow more
    SMILES
    [Li+].[Li+].[Li+].CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O
    InChIKey
    FTRFBNATWBKIQU-JHJDYNLLSA-K
    InChI
    1S/C23H38N7O17P3S.3Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-1show more
    Synonyms
    DTXSID70585056 | trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy...
  12. Acetyl coenzyme A lithium salt
    Acetyl coenzyme A lithium salt
    CAS: 32140-51-5 Formula: C23H38N7O17P3S · xLi+ Molecular Weight: 809.57 (free acid basis)
    ≥93%(HPLC)
    In Stock Item #: A432621
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxishow more
    SMILES
    [Li+].[Li+].[Li+].CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O
    InChIKey
    FTRFBNATWBKIQU-JHJDYNLLSA-K
    InChI
    1S/C23H38N7O17P3S.3Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-1show more
    Synonyms
    Acetyl-CoA, Acetyl-S-CoA Li₃
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