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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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Items 1-12 of 21

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  1. p-Coumaryl-Coenzyme A
      Grade & Purity: 
    • ≥95%
    Cas Number: 119785-99-8
    Formula:  C30H42N7O18P3S        Molecular Weight: 913.68
    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:  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(44,45show more
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  2. S-Methyl 3-methylbutanethioate
      Grade & Purity: 
    • ≥95%
    Cas Number: 23747-45-7        Compound CID:  90246
    Formula:  C6H12OS        Molecular Weight: 132.22
    IUPAC Name:  S-methyl 3-methylbutanethioate
    SMILES:  CC(C)CC(=O)SC
    InChIKey: MPLWTJZAFOVXKP-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
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  3. Methyl 3-(2，2-dimethylbutanoylthio)propanoate
      Grade & Purity: 
    • ≥95%
    Cas Number: 938063-63-9        Compound CID:  44237239
    Formula:  C10H18O3S        Molecular Weight: 218.32
    IUPAC Name:  methyl 3-(2,2-dimethylbutanoylsulfanyl)propanoate
    SMILES:  CCC(C)(C)C(=O)SCCC(=O)OC
    InChIKey: OSAXTZWRAGDRFI-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H18O3S/c1-5-10(2,3)9(12)14-7-6-8(11)13-4/h5-7H2,1-4H3
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  4. propionyl-CoA
    Cas Number: 317-66-8        Compound CID:  92753
    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:  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)31-12show more
    Synonyms: 4,6-Dichloro-2-methylsulfanylpyrimidine-5-carboxaldehyde | p-cresyl sulphate | C00100 | LMFA07050364 | UNII-H7HQA57V5...
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  5. methylmalonyl-CoA
    Cas Number: 1264-45-5        Compound CID:  123909
    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:  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(49show 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...
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  6. [¹⁴C]acetylCoA
    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:  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)30-11-29show more
    Synonyms: [¹⁴C]-acetylCoA
    Details
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  7. (S)-3-hydroxy-3-methylglutaryl-CoA
    Cas Number: 26926-09-0        Compound CID:  445127
    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:  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)19show more
    Synonyms: S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A | S-(Hydrogen 3-hydroxy-3-methylpentanedioate | SCHEMBL1198 | S-(Hy...
    Details
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  8. Acetyl-Coenzyme A trilithium salt
      Grade & Purity: 
    • 85% (Enzymatic and Absorbance), 2% (lithium)
    Cas Number: 75520-41-1        EC Number: 200-790-9        Compound CID:  16218870
    Formula:  C23H35Li3N7O17P3        Molecular Weight: 827.5
    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:  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)30-1show more
    Synonyms: DTXSID70585056 | trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy...
    Details
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  9. Acetyl coenzyme A lithium salt
      Grade & Purity: 
    • ≥93%(HPLC)
    Cas Number: 32140-51-5        Compound CID:  16218870
    Formula:  C23H38N7O17P3S · xLi+        Molecular Weight: 809.57
    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:  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)30-1show more
    Synonyms: Acetyl-CoA, Acetyl-S-CoA Li₃
    Details
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  10. Acetyl coenzyme A sodium salt
      Grade & Purity: 
    • ≥90%
    Cas Number: 102029-73-2        Compound CID:  16218868
    Formula:  C23H38N7O17P3S·xNa        Molecular Weight: 809.57（free）
    SMILES:  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.[Na]
    InChIKey: XGCDESRMLMCTPI-UHFFFAOYSA-N
    InChI:  InChI=1S/C23H38N7O17P3S.Na/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)30-11show more
    Synonyms: Acetyl CoA | Acetyl-S- CoA
    Details
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  11. methyl thiohexanoate
      Grade & Purity: 
    • ≥95%
    Cas Number: 2432-77-1
    Formula:  C7H14OS        Molecular Weight: 146.25
    IUPAC Name:  S-methyl hexanethioate
    SMILES:  CCCCCC(=O)SC
    InChIKey: AKGAHYLJHAOPKQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
    Synonyms: Hexanethioic acid, S-methyl ester | 1-(METHYLSULFANYL)HEXAN-1-ONE | DTXSID1062417 | Methanethiol caproate | S-Methyl ...
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  12. Malonyl coenzyme A lithium salt
      Grade & Purity: 
    • ≥90%(HPLC)
    Cas Number: 108347-84-8
    Formula:  C24H38N7O19P3S • XLi        Molecular Weight: 853.58 (free acid basis)
    SMILES:  [Li].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)CC(=O)O)O
    InChIKey: OPIJLICRFQMMJH-UHFFFAOYSA-N
    InChI:  InChI=1S/C24H38N7O19P3S.Li/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48show more
    Synonyms: CID 16219642 | AKOS030255405 | DTXSID70585218 | Malonyl coenzyme A lithium salt | PUBCHEM_16219642
    Details
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