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Browse PrenDB
Predict
Concept
PTDBREP00431
Curate
Reaction
PTDBREC00431
Enzyme
PTDBENZ00007
Reference
PTDBDOC00038
Depth 2
Depth
2
Size
4
Atom
2
ID
PTDBDEP01721
Smiles
cc(c)O
Smarts
[#6]:[#6](-[#8]):[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
cc(c)O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(c)OCC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6](-[#8]):[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6](:[#6]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 3
Depth
3
Size
6
Atom
5
ID
PTDBDEP01722
Smiles
ccc(O)cc
Smarts
[#6]:[#6]:[#6](:[#6]:[#6])-[#8]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
ccc(O)cc.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(cc)OCC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]:[#6](:[#6]:[#6])-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6](:[#6]:[#6]):[#6]:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 4
Depth
4
Size
8
Atom
6
ID
PTDBDEP01723
Smiles
Cc1cccc(O)c1
Smarts
[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#8]):[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
Cc1cccc(O)c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCOc1cccc(C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#8]):[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#6]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 5
Depth
5
Size
9
Atom
7
ID
PTDBDEP01724
Smiles
CCc1cccc(O)c1
Smarts
[#6H]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#8]):[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
CCc1cccc(O)c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1cccc(OCC=C(C)C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6H]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#8]):[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#6]-[#6H]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
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