KEGG   DRUG: Butyl alcohol
Entry
D03200                      Drug                                   
Name
Butyl alcohol (NF);
1-Butanol
Formula
C4H10O
Exact mass
74.0732
Mol weight
74.1216
Structure
Simcomp
Remark
Same as: C06142
Efficacy
Pharmaceutic aid (solvent)
Other DBs
CAS: 71-36-3
PubChem: 17397354
ChEBI: 28885
PDB-CCD: 1BO[PDBj]
LigandBox: D03200
NIKKAJI: J2.374D
LinkDB
KCF data

ATOM        5
            1   C1a C    11.7600  -15.2600
            2   C1b C    12.9724  -14.5600
            3   C1b C    14.1849  -15.2600
            4   C1b C    15.3973  -14.5600
            5   O1a O    16.6097  -15.2600
BOND        4
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1

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