Acetyl Coenzyme A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 612
Total Number of Articles : 1012
PubChem 444493
Molecular Formula

C23H38N7O17P3S

SMILES

CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O

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)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1

synonyms
  • ACETYL COENZYME A
  • acetyl-CoA
  • 72-89-9
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Properties
Property Value
MW 809.6 g/mol
HBD 9
HBA 22
Rotatable Bond Count 20
Exact Mass 809.12577494 g/mol
Monoisotopic Mass 809.12577494 g/mol
Heavy Atom Count 51
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1380
xlogp -5.6
Topological Polar Surface Area 389