الاسم: palmitoyl CoA
SMILES:
CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)OMolecular Processing
Molecular formula
C37H66N7O17P3S
Molecular weight
1005.96
Exact mass
1005.3449
XLogP
4.15
TPSA
363.63
H-bond donors
9
H-bond acceptors
18
Rotatable bonds
33
Heavy atoms
65
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
7
Undefined stereo
2
Formal charge
0
Heteroatoms
28
Covalent units
1
Fraction Csp3
0.784
Molar refractivity
237.41
Supplementary Information
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