L-Isoleucine
L-Isoleucine Structure
Systematic / IUPAC Name: (2S,3S)-2-Amino-3-methylpentanoic acid
ID: Reference2244
Other Names:
(S)-Isoleucine;
(S,S)-Isoleucine;
2S,3S-Isoleucine;
Erythro-L-isoleucine;
L-(+)-Isoleucine
; more
Formula: C6H13NO2
Class: Endogenous Metabolites Excipients/Additives/Colorants Natural Products/Medicines Therapeutics/Prescription Drugs
Spectral Data
L-Isoleucine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 45 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/16/2016 12:00:10 PM |
Identificators
| InChI | 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 |
| InChI Key | AGPKZVBTJJNPAG-WHFBIAKZSA-N |
| Canonical SMILES | CCC(C)C(C(=O)O)N |
| CAS | 73325 |
| Splash | |
| Other Names |
(S)-Isoleucine; (S,S)-Isoleucine; 2S,3S-Isoleucine; Erythro-L-isoleucine; L-(+)-Isoleucine; 2-Amino-3-methylvaleric acid; L-Ile; α-Amino-β-methylvaleric acid; Norvaline, 3-methyl-; Iso-leucine; Isoleucine, L-; L-Norvaline, 3-methyl-, erythro-; (2S,3S)-α-Amino-β-methyl-n-valeric acid; Acetic acid, amino-sec-butyl-; Ile; (2S,3S)-α-Amino-β-methylvaleric acid; [S-(R*,R*)]-2-Amino-3-methylpentanoic acid; Pentanoic acid, 2-amino-3-methyl-, (2S,3S)- |
In Other Databases
| PubChem | 6306; 7043901 |
| KEGG | C00407; D00065 |
| ChemIDPlus | 000073325; 034464352 |
| Wikipedia | Isoleucine |
| ChEBI | CHEBI:17191; CHEBI:58045 |
| ChEMBL | CHEMBL1233584 |
| HMDb | HMDB00172 |
| ChemSpider | 6067 |
| DrugBank | DB00167 |