CAS 10236-58-5 L-Selenocysteine (HCID 25076)

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Basic information

CAS: 10236-58-5
Standard SMILES: N[C@@H](C[SeH])C(=O)O
InChIKey: ZKZBPNGNEQAJSX-REOHCLBHSA-N
Molecular formula: C3H7NO2Se
Average molar mass: 168.06 g/mol
Monoisotopic mass: 168.96419976

Overview

Selenocysteine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

Names & identifiers

Preferred name: L-Selenocysteine
IUPAC: (2R)-2-amino-3-selanylpropanoic acid
English name: Selenocysteine
Molecular formula: C3H7NO2Se
Molecular weight: 168.05

Names & synonyms

3-SelenylalanineL Alanine, 3 selenylSelenocysteine, DLRefChem:924438DTXCID501022624(2R)-2-amino-3-selanylpropanoic acid0CH9049VIS10236-58-53 Selenylalanine3-SelenoalanineCHEBI:16633CHEBI:9093

Show more names

SelenocysteinSeleno-L-cysteine3-Selenyl-L-alanineL-Selenocysteine，98%3-(Hydroseleno)alanineSelenocysteine USP/EP/BP3-Selenyl-2-aminopropanoic acid

D,L-selenocysteineDTXSID00881371L-Alanine, 3-selenyl-L-SelenocysteineSelenium cysteineSelenocysteine(R)-2-Amino-3-hydroselenopropanoic acidAlanine, 3-selenyl-

Database identifiers

CAS: 10236-58-5、3614-08-2
PubChem CID: 25076
DTXSID: DTXSID00881371
ChEMBL: CHEMBL109962
EC Number: 808-428-7

Properties

Computed structural properties

Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 75.3

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

Melting Point143-146 °C

Physical DescriptionSolid

Physicochemical properties

Boiling point: 440.2 · 440.2±45.0 °C(Predicted)
pka: 5.2 · 5.2(at 25℃)
InChI: InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey: ZKZBPNGNEQAJSX-REOHCLBHSA-N
SMILES: C(O)(=O)[C@H](C[SeH])N
FDA UNII: 0 CH9049VIS · 0CH9049VIS
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummarySee Cysteine.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Pharmacology

Tissue LocationsFibroblasts

Cellular LocationsCytoplasm

Metabolite PathwaysSelenocompound metabolism

Uses & manufacturing

UsesAn amino acid present in some enzymes; [Merck Index]

Applications

UsesL-Selenocysteine is used in the modulation of oxidative stress through detoxification of biological oxidants as well as repair of oxidized residues.