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Browse PrenDB
Predict
Concept
PTDBREP00049
Curate
Reaction
PTDBREC00049
Enzyme
PTDBENZ00009
Reference
PTDBDOC00006
Depth 2
Depth
2
Size
5
Atom
2
ID
PTDBDEP00193
Smiles
ccccc
Smarts
[#6]:[#6]:[#6]:[#6]:[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
ccccc.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(cc)CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]:[#6]:[#6]:[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6](:[#6]:[#6]):[#6]:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 3
Depth
3
Size
7
Atom
3
ID
PTDBDEP00194
Smiles
[nH]c1ccccc1
Smarts
[#7H]:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
[nH]c1ccccc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cccc([nH])c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7H]:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#7H]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 4
Depth
4
Size
9
Atom
5
ID
PTDBDEP00195
Smiles
c1ccc2[nH]ccc2c1
Smarts
[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
c1ccc2[nH]ccc2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1ccc2cc[nH]c2c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6]:[#6]:[#7H]:[#6]:2:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 5
Depth
5
Size
10
Atom
6
ID
PTDBDEP00196
Smiles
Cc1c[nH]c2ccccc12
Smarts
[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
Cc1c[nH]c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1ccc2c(C)c[nH]c2c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](-[#6]):[#6]:[#7H]:[#6]:2:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
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