oleoyl-coenzyme A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 79
Total Number of Articles : 84
PubChem 5497111
Molecular Formula

C39H68N7O17P3S

SMILES

CCCCCCCC/C=C\CCCCCCCC(=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/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1

synonyms
  • oleoyl-CoA
  • Oleoyl coenzyme A
  • Oleoyl-coenzyme A
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Properties
Property Value
MW 1032.0 g/mol
HBD 9
HBA 22
Rotatable Bond Count 35
Exact Mass 1031.36052589 g/mol
Monoisotopic Mass 1031.36052589 g/mol
Heavy Atom Count 67
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1700
xlogp 1.8
Topological Polar Surface Area 389