Malonyl Coenzyme A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 143
Total Number of Articles : 404
PubChem 644066
Molecular Formula

C24H38N7O19P3S

SMILES

CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O

InChI

InChI=1S/C24H38N7O19P3S/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(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1

synonyms
  • malonyl-CoA
  • MALONYL COENZYME A
  • S-(Hydrogen malonyl)coenzyme A
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Properties
Property Value
MW 853.6 g/mol
HBD 10
HBA 24
Rotatable Bond Count 22
Exact Mass 853.11560417 g/mol
Monoisotopic Mass 853.11560417 g/mol
Heavy Atom Count 54
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1490
xlogp -5.9
Topological Polar Surface Area 426