arachidonyl-coenzyme A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 25
Total Number of Articles : 25
PubChem 5497113
Molecular Formula

C41H66N7O17P3S

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1

synonyms
  • Arachidonyl-coa
  • Arachidonoyl-CoA
  • arachidonyl-coenzyme A
Click to show/hide the synonyms
Properties
Property Value
MW 1054.0 g/mol
HBD 9
HBA 22
Rotatable Bond Count 34
Exact Mass 1053.34487583 g/mol
Monoisotopic Mass 1053.34487583 g/mol
Heavy Atom Count 69
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1880
xlogp 0.9
Topological Polar Surface Area 389