Cas no 17331-98-5 (Coenzyme A, S-nonanoate)

Coenzyme A, S-nonanoate structure
Coenzyme A, S-nonanoate structure
Product Name:Coenzyme A, S-nonanoate
CAS No:17331-98-5
MF:C30H52N7O17P3S
MW:907.756869316101
CID:152927
Update Time:2025-04-19

Coenzyme A, S-nonanoate Chemical and Physical Properties

Names and Identifiers

    • Coenzyme A, S-nonanoate(8CI,9CI)
    • nonanoyl-coenzyme A
    • Nonanoyl Coenzyme A
    • 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-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethy
    • Coenzyme A, nonanoyl-
    • Coenzyme A, S-nonanoate
    • Nonanoyl-coa
    • S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} nonanethioate (non-preferred name)
    • Nonanoyl CoA
    • Adenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(nonanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
    • Pelargonoyl-CoA
    • Nonanoyl-CoA
    • Pelargonoyl-CoA
    • Inchi: 1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1
    • InChI Key: WLDUTYVSAGSKIV-FUEUKBNZSA-N
    • SMILES: S(CCNC(CCNC([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)O)O)=O)=O)C(CCCCCCCC)=O

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Coenzyme A, S-nonanoate Production Method

Production Method 1

Reaction Conditions
1.1R:R:MgCl2, R:Glycerol, R:C:9013-18-7, S:H2O, 60 min, 25°C
1.2R:HCO2H
Reference
Identification of Middle Chain Fatty Acyl-CoA Ligase Responsible for the Biosynthesis of 2-Alkylmalonyl-CoAs for Polyketide Extender Unit
By Miyazawa, Takeshi et al, Journal of Biological Chemistry, 2015, 290(45), 26994-27011

Production Method 2

Reaction Conditions
1.1R:Et3N, S:CH2Cl2, 0°C; 0.5 h, rt
1.2R:HCl, S:H2O
2.1S:Benzene, rt; 4 h, reflux
2.2R:NaOH, S:H2O
3.1S:PhMe, 48 h, rt
4.1S:H2O, S:THF, overnight, rt, pH 8.5
5.1R:NaHCO3, C:Coenzyme II, reduced, S:H2O, 0.5 h, 30°C, pH 7
5.2R:Cl3CCO2H, S:H2O
Reference
Multiplexing of Combinatorial Chemistry in Antimycin Biosynthesis: Expansion of Molecular Diversity and Utility
By Yan, Yan et al, Angewandte Chemie, 2013, 52(47), 12308-12312

Coenzyme A, S-nonanoate Raw materials

Coenzyme A, S-nonanoate Preparation Products

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