KEGG   COMPOUND: C00407
Entry
C00407                      Compound                               
Name
L-Isoleucine;
2-Amino-3-methylvaleric acid
Formula
C6H13NO2
Exact mass
131.0946
Mol weight
131.1729
Structure
Remark
Same as: D00065
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine biosynthesis
map00460  Cyanoamino acid metabolism
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map00966  Glucosinolate biosynthesis
map00970  Aminoacyl-tRNA biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01064  Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
map02010  ABC transporters
map04974  Protein digestion and absorption
map04978  Mineral absorption
map05131  Shigellosis
map05230  Central carbon metabolism in cancer
Module
M00019  Valine/isoleucine biosynthesis, pyruvate => valine / 2-oxobutanoate => isoleucine
M00570  Isoleucine biosynthesis, threonine => 2-oxobutanoate => isoleucine
Network
nt06024  Valine, leucine and isoleucine degradation
Enzyme
1.4.1.9         1.4.3.2         1.14.11.45      1.14.11.74      
1.14.14.38      1.14.14.39      2.6.1.32        2.6.1.42        
5.1.1.21        6.1.1.5         6.3.2.47        6.3.2.50
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Common amino acids
    C00407  Isoleucine (Ile)
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: 3697
ChEBI: 17191
KNApSAcK: C00001374
PDB-CCD: ILE[PDBj]
3DMET: B01236
NIKKAJI: J2.818E
LinkDB
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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