Homocysteine
410
Reference
Homocysteine Structure
Systematic / IUPAC Name: 2-Amino-4-sulfanylbutanoic acid
ID: Reference410
Other Names:
2-Amino-4-mercaptobutyric acid;
DL-2-Amino-4-mercaptobutyric acid;
Butyric acid, 2-amino-4-mercapto-, DL-;
Butyric acid, 2-amino-4-mercapto-;
2-Amino-4-mercaptobutanoic acid
; more
Formula: C4H9NO2S
Class: Endogenous Metabolites
Spectral Data
Homocysteine 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 | Orbitrap Elite; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 198 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/11/2016 11:30:32 AM |
Identificators
| InChI | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7) |
| InChI Key | FFFHZYDWPBMWHY-UHFFFAOYSA-N |
| Canonical SMILES | C(CS)C(C(=O)O)N |
| CAS | 454295 |
| Splash | |
| Other Names |
2-Amino-4-mercaptobutyric acid; DL-2-Amino-4-mercaptobutyric acid; Butyric acid, 2-amino-4-mercapto-, DL-; Butyric acid, 2-amino-4-mercapto-; 2-Amino-4-mercaptobutanoic acid; 2-Amino-4-mercapto-DL-butyric acid; Butanoic acid, 2-amino-4-mercapto-; DL-Homocysteine; Homo-Cys; Hcy |
In Other Databases
| KEGG | C05330 |
| HMDb | HMDB00742; HMDB00742 |
| ChEBI | CHEBI:17230; CHEBI:58065 |
| PubChem | 778 |
| ChemIDPlus | 000454284; 000454295 |
| Wikipedia | Homocysteine |
| ChEMBL | CHEMBL310604 |
| ChemSpider | 757 |