Cystathionine

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Systematic / IUPAC Name: 2-Amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid

ID: Reference407

Other Names: 2-Amino-4-(2-amino-3-hydroxy-3-oxopropyl)sulfanylbutanoic acid;
DL-Cystathionine;
Cystathionine, DL-

Formula: C7H14N2O4S

Class: Endogenous Metabolites

Spectral Data

Cystathionine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 204
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 1/15/2015 2:07:59 PM
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Identificators

InChI InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChI Key ILRYLPWNYFXEMH-UHFFFAOYSA-N
Canonical SMILES C(CSCC(C(=O)O)N)C(C(=O)O)N
CAS 535342
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Other Names 2-Amino-4-(2-amino-3-hydroxy-3-oxopropyl)sulfanylbutanoic acid;
DL-Cystathionine;
Cystathionine, DL-

In Other Databases

Wikipedia Cystathionine
ChEBI CHEBI:17755
ChemSpider 811
ChEMBL CHEMBL209241
ChemIDPlus 000056882; 000535342; 030651435
HMDb HMDB00455
KEGG C00542
PubChem 834