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Substance Name: Valine [USAN:INN]
RN: 72-18-4
UNII: HG18B9YRS7
InChIKey: KZSNJWFQEVHDMF-BYPYZUCNSA-N
Note
- A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.
Molecular Formula
- C5-H11-N-O2
Molecular Weight
- 117.147
- All
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- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Amino Acid
- Mutation Data
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Names and Synonyms
Name of Substance
- Valine
- Valine [USAN:INN]
MeSH Heading
- Valine
Synonyms
- (S)-2-Amino-3-methylbutanoic acid
- (S)-2-Amino-3-methylbutyric acid
- (S)-alpha-Amino-beta-methylbutyric acid
- (S)-Valine
- 2-Amino-3-methylbutanoic acid
- 2-Amino-3-methylbutanoic acid (VAN)
- 2-Amino-3-methylbutanoic acid, (S)-
- 2-Amino-3-methylbutyric acid
- 2-Amino-3-methylbutyric acid, (S)-
- Butanoic acid, 2-amino-3-methyl-
- Butanoic acid, 2-amino-3-methyl-, (S)-
- EC 200-773-6
- EINECS 200-773-6
- HSDB 7800
- L(+)-alpha-Aminoisovaleric acid
- L-alpha-Amino-beta-methylbutyric acid
- L-Valine
- NSC 76038
- UNII-HG18B9YRS7
- Valina
- Valina [Spanish]
- Valine
- Valine (VAN)
- Valinum
- Valinum [Latin]
Systematic Names
- L-Valine
- Valine
Superlist Name
- Valine, L-
Registry Numbers
CAS Registry Number
- 72-18-4
FDA UNII
- HG18B9YRS7
Other Registry Numbers
- 154605-70-6
- 1613375-16-8
- 16872-32-5
- 7004-03-7
System Generated Number
- 0000072184
Structure Descriptors
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1InChIKey
KZSNJWFQEVHDMF-BYPYZUCNSA-NSmiles
CC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 5390mg/kg (5390mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) 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 | 315 | deg C | EXP | |
| pKa Dissociation Constant | 2.297 | (none) | 13 | EXP |
| log P (octanol-water) | -2.26E+00 | (none) | EXP | |
| Water Solubility | 5.85E+04 | mg/L | 25 | EXP |
| Vapor Pressure | 3.41E-08 | mm Hg | 25 | EST |
| Henry's Law Constant | 2.63E-09 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 4.09E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.