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Substance Name: Isoleucine [USAN:USP:INN:BAN]
RN: 73-32-5
UNII: 04Y7590D77
InChIKey: AGPKZVBTJJNPAG-WHFBIAKZSA-N

Note

  • An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.

Molecular Formula

  • C6-H13-N-O2

Molecular Weight

  • 131.174
 

Classification Codes

  • Amino Acid
  • Mutation Data
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Names and Synonyms

Name of Substance

  • 2-Amino-3-methylpentanoic acid
  • 2-Amino-3-methylvaleric acid
  • Isoleucine
  • Isoleucine [USAN:USP:INN:BAN]
  • L-Isoleucine

MeSH Heading

  • Isoleucine

Synonyms

  • (2S,3S)-2-Amino-3-methylpentanoic acid
  • (2S,3S)-alpha-Amino-beta-merthyl-n-valeric acid
  • (2S,3S)-alpha-Amino-beta-merthylvaleric acid
  • (2S,3S)-alpha-Amino-beta-methyl-n-valeric acid
  • (S)-Isoleucine
  • (S,S)-Isoleucine
  • (S-(R*,R*))-2-Amino-3-methylpentanoic acid
  • 2-Amino-3-methylpentanoic acid, (S-(R*,R*))-
  • 2S,3S-Isoleucine
  • Acetic acid, amino(1-methylpropyl)-, (R*,R*)-
  • Acetic acid, amino-sec-butyl-
  • alpha-Amino-beta-methylvaleric acid
  • CCRIS 5229
  • EINECS 200-798-2
  • erythro-L-Isoleucine
  • HSDB 7798
  • Isoleucina
  • Isoleucina [Spanish]
  • Isoleucine
  • Isoleucine (VAN)
  • Isoleucinum
  • Isoleucinum [Latin]
  • L-Norvaline, 3-methyl-, erythro-
  • Norvaline, 3-methyl-
  • NSC 46708
  • Pentanoic acid, 2-amino-3-methyl-
  • Pentanoic acid, 2-amino-3-methyl-, (S-(R*,R))-
  • UNII-04Y7590D77
  • Valeric acid, 2-amino-3-methyl-

Systematic Names

  • Isoleucine
  • Isoleucine (VAN)
  • L-Isoleucine

Superlist Name

  • Isoleucine, L-

Registry Numbers

CAS Registry Number

  • 73-32-5

FDA UNII

  • 04Y7590D77

Other Registry Numbers

  • 1050482-26-2
  • 1131911-83-5
  • 1186126-44-2
  • 410078-51-2
  • 501028-75-7
  • 7004-09-3
  • 807611-99-0
  • 959215-79-3

System Generated Number

  • 0000073325

Structure Descriptors

InChI

1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

InChIKey

AGPKZVBTJJNPAG-WHFBIAKZSA-N

Smiles

C([C@H]([C@H](CC)C)N)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 6822mg/kg (6822mg/kg)   Archives of Biochemistry and Biophysics. Vol. 58, Pg. 253, 1955.
rat LD50 intraperitoneal 6822mg/kg (6822mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Archives of Biochemistry and Biophysics. Vol. 58, Pg. 253, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 285.5 dec deg C   EXP
pKa Dissociation Constant 2.365 (none) 0 EXP
log P (octanol-water) -1.70E+00 (none)   EXP
Water Solubility 3.44E+04 mg/L 25 EXP
Vapor Pressure 1.34E-08 mm Hg 25 EST
Henry's Law Constant 3.49E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.26E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.