KEGG   DRUG: Isoleucine
Entry
D00065                      Drug                                   
Name
Isoleucine (USP);
L-Isoleucine (JP18)
Formula
C6H13NO2
Exact mass
131.0946
Mol weight
131.1729
Structure
Simcomp
Remark
Same as: C00407
Product (mixture): D04958<JP>
Efficacy
Supplement (isoleucine)
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   L-Isoleucine
    D00065  Isoleucine (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00065  L-Isoleucine
Other DBs
CAS: 73-32-5
PubChem: 7847133
ChEBI: 17191
PDB-CCD: ILE[PDBj]
LigandBox: D00065
NIKKAJI: J2.818E
KCF data

ATOM        9
            1   C1c C    22.4922  -17.1397
            2   C1c C    23.6796  -16.4029
            3   C6a C    21.2581  -16.4789
            4   N1a N    22.5391  -18.5377
            5   C1b C    24.9137  -17.0637
            6   C1a C    23.6387  -15.0049
            7   O6a O    20.1001  -17.2742
            8   O6a O    21.2815  -15.0809
            9   C1a C    26.1069  -16.3268
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     5   9 1

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