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Browse PrenDB
Predict
Concept
PTDBREP00584
Curate
Reaction
PTDBREC00584
Enzyme
PTDBENZ00011
Reference
PTDBDOC00044
Depth 2
Depth
2
Size
4
Atom
2
ID
PTDBDEP02333
Smiles
cc(c)O
Smarts
[#6]:[#6](-[#8]):[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
cc(c)O.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(c)OC/C=C/C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6](-[#8]):[#6].[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#8]-[#6](:[#6]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 3
Depth
3
Size
8
Atom
4
ID
PTDBDEP02334
Smiles
cc(Br)c(O)c(c)Br
Smarts
[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
cc(Br)c(O)c(c)Br.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(Br)c(OC/C=C/C)c(c)Br.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6].[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#8]-[#6](:[#6](-[#35]):[#6]):[#6](:[#6])-[#35].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 4
Depth
4
Size
9
Atom
5
ID
PTDBDEP02335
Smiles
Oc1c(Br)cccc1Br
Smarts
[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
Oc1c(Br)cccc1Br.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C/C=C/COc1c(Br)cccc1Br.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6]:1.[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#8]-[#6]1:[#6](-[#35]):[#6]:[#6]:[#6]:[#6]:1-[#35].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 5
Depth
5
Size
10
Atom
6
ID
PTDBDEP02336
Smiles
Cc1cc(Br)c(O)c(Br)c1
Smarts
[#6]-[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
Cc1cc(Br)c(O)c(Br)c1.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C/C=C/COc1c(Br)cc(C)cc1Br.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6]:1.[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#8]-[#6]1:[#6](-[#35]):[#6]:[#6](-[#6]):[#6]:[#6]:1-[#35].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
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