S-tetradecanoyl-coenzyme A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 25
Total Number of Articles : 38
PubChem 11966124
Molecular Formula

C35H62N7O17P3S

SMILES

CCCCCCCCCCCCCC(=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/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1

synonyms
  • myristoyl-CoA
  • tetradecanoyl-CoA
  • S-Tetradecanoyl-coenzyme A
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Properties
Property Value
MW 977.9 g/mol
HBD 9
HBA 22
Rotatable Bond Count 32
Exact Mass 977.31357570 g/mol
Monoisotopic Mass 977.31357570 g/mol
Heavy Atom Count 63
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1590
xlogp 0.6
Topological Polar Surface Area 389