Cas no 143180-18-1 (coenzyme A)

coenzyme A structure
coenzyme A structure
Product Name:coenzyme A
CAS No:143180-18-1
MF:C21H36N7O16P3S
MW:767.534126281738
CID:108203
Update Time:2023-08-03

coenzyme A Chemical and Physical Properties

Names and Identifiers

    • Phosphoteric T-C 6(9CI)
    • coenzyme A
    • CoASH
    • CoA-SH
    • Zeel
    • CoA
    • Depot-Zeel
    • HSCoA
    • Coenzym A
    • co-enzyme-A
    • Coenzyme ASH
    • Phosphoteric T-C6
    • HS-CoA
    • COENZYME_A
    • SAA04E81UX
    • 3'-phosphoadenosine-(5')diphospho(4')pantatheine
    • Coenzyme A hydrate
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
    • Co-A-SH
    • Reduced CoA
    • [(2R,3S,4R,5R)-5-(6-ami
    • Inchi: 1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
    • InChI Key: RGJOEKWQDUBAIZ-IBOSZNHHSA-N
    • SMILES: SCCNC(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

Computed Properties

  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 18
  • Complexity: 1270
  • XLogP3: -5.8
  • Topological Polar Surface Area: 348
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