DRUG: Acetone
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Entry
D02311 Drug
Name
Acetone (NF);
2-Propanone;
Acetone (TN)
Formula
C3H6O
Exact mass
58.0419
Mol weight
58.08
Structure
Mol file
KCF file
DB search
Simcomp
Neighbor
Class
Metabolizing enzyme substrate
DG02855
CYP2E1 substrate
Remark
Same as:
C00207
Efficacy
Pharmaceutic aid (solvent)
Metabolism
Enzyme: CYP2E1 [HSA:
1571
]
Brite
Drug groups [BR:
br08330
]
Metabolizing enzyme substrate
DG02855 CYP2E1 substrate
D02311 Acetone
Drug metabolizing enzymes and transporters [
br08309.html
]
Drug metabolizing enzymes
D02311
BRITE hierarchy
Other DBs
CAS:
67-64-1
PubChem:
7849370
ChEBI:
15347
PDB-CCD:
ACN
[
PDBj
]
LigandBox:
D02311
NIKKAJI:
J2.365E
LinkDB
All DBs
KCF data
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ATOM 4
1 C5a C 24.6171 -15.7736
2 C1a C 23.4072 -16.4752
3 C1a C 25.8269 -16.4752
4 O5a O 24.6171 -14.3708
BOND 3
1 1 2 1
2 1 3 1
3 1 4 2
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