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Coenzymes

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Items 1-12 of 59

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  1. PKI 14-22 amide,myristoylated TFA, Inhibitor of protein kinase A
    Cas Number: 201422-03-9        Compound CID:  71312213
    Formula:  C53H100N20O12(free)        Molecular Weight: 1209.49(free)
    IUPAC Name:  (2S)-N-[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylidenshow more
    SMILES:  CCCCCCCCCCCCCC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)N
    InChIKey: GQPQKQWUUHDDIS-JDLJUXOTSA-N
    InChI:  InChI=1S/C53H100N20O12/c1-6-8-9-10-11-12-13-14-15-16-17-24-39(76)65-29-40(77)69-35(22-19-26-63-52(58)59)48(83)73-43(33(5)74)50(85)66-30-41(78)68-34(21show more
    Synonyms: Protein kinase inhibitor-(14-22)-amide, myristoylated
  2. AP 811, Antagonist of natriuretic peptide receptor 3
    Cas Number: 124833-45-0        Compound CID:  44301714
    Formula:  C46H66N12O8        Molecular Weight: 915.11
    IUPAC Name:  (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-methylbutyl]amino]-1-oxopentan-2-yl]amino]-3-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2show more
    SMILES:  CCC(C)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CCCN=C(N)N)NC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2
    InChIKey: UNMJSSQZDQBGDS-OCFLPWLCSA-N
    InChI:  InChI=1S/C46H66N12O8/c1-5-27(3)26-53-41(63)34(13-9-21-51-45(47)48)56-43(65)36(25-38(60)61)57-44(66)39(28(4)6-2)58-42(64)35(14-10-22-52-46(49)50)55-37(show more
  3. Palmitoyl coenzyme A lithium salt
      Grade & Purity: 
    • ≥90%
    Cas Number: 188174-64-3        Compound CID:  71308765
    Formula:  C37H65N7O17P3S · xLi+        Molecular Weight: 1004.94 (free acid basis)
    IUPAC Name:  lithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxyshow more
    SMILES:  [Li+].CCCCCCCCCCCCCCCC(=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: BSAYABVAJQBKKB-NNGKVBCISA-M
    InChI:  InChI=1S/C37H66N7O17P3S.Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22show more
    Synonyms: Palmitoyl coenzyme A lithium salt is also known as n-Hexadecanoyl Coenzyme A.
  4. Malonyl coenzyme A tetralithium salt
      Grade & Purity: 
    • ≥90%
    Cas Number: 116928-84-8
    Formula:  C24H34N7O19P3S・4Li        Molecular Weight: 877.31
    IUPAC Name:  tetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(2-carboxyacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4show more
    SMILES:  [Li+].[Li+].[Li+].[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: DQLXXYMNINXQSV-QTRRCMKVSA-J
    InChI:  InChI=1S/C24H38N7O19P3S.4Li/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(4show more
    Synonyms: Malonyl coa tetralithium salt | Coenzyme A, S-(hydrogen propanedioate), tetralithium salt (9CI) | 6TWZ6JD7UX | Malony...
  5. Octanoyl coenzyme A
      Grade & Purity: 
    • ≥95%
    Cas Number: 1264-52-4
    Formula:  C29H50N7O17P3S        Molecular Weight: 893.73
    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:  CCCCCCCC(=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: KQMZYOXOBSXMII-CECATXLMSA-N
    InChI:  InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39show more
    Synonyms: 8:0-CoA | C01944 | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methox...
  6. Acetoacetyl coenzyme A sodium salt hydrate
      Grade & Purity: 
    • ≥90%
    Cas Number: 1420-36-6        Compound CID:  92153
    Formula:  C25H40N7O18P3S·xNa+·yH2O        Molecular Weight: 851.61(anhydrous free acid basis)
    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(=O)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: OJFDKHTZOUZBOS-CITAKDKDSA-N
    InChI:  InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14show more
    Synonyms: J-000542 | DTXSID30931292 | 9H-purin-6-amine,9-[5-O-[[[[[(3R)-4-[[3-[[2-[(1,3-dioxobutyl)thio]ethyl]amino]-3-oxopropy...
  7. Lauroyl coenzyme A lithium salt
      Grade & Purity: 
    • ≥90%
    Cas Number: 190063-12-8
    Formula:  C33H58N7O17P3S        Molecular Weight: 955.77
    IUPAC Name:  lithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-dodecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-show more
    SMILES:  [Li+].CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23
    InChIKey: FWNUZMNRIPYTPZ-CDSRRKEDSA-M
    InChI:  InChI=1S/C33H58N7O17P3S.Li/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58show more
    Synonyms: C12-CoA
  8. Acetyl coenzyme A lithium salt
      Grade & Purity: 
    • ≥83%(Enzymatic)
    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: DTXSID70585056 | trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy...
  9. Succinyl coenzyme A sodium salt
      Grade & Purity: 
    • ≥85%
    Cas Number: 108347-97-3
    Formula:  C25H40N7O19P3S•xNa        Molecular Weight: 867.61 (non sodium salt)
    IUPAC Name:  4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryshow more
    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)CCC(=O)[O-])O
    InChIKey: VNOYUJKHFWYWIR-FZEDXVDRSA-L
    InChI:  InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49show more
    Synonyms: 4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydro...
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