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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-08-13 11:13:59 UTC

Update Date

2023-02-21 17:16:56 UTC

HMDB ID

HMDB0004113

Secondary Accession Numbers

HMDB0031466
HMDB04113
HMDB31466

Metabolite Identification

Common Name

Se-Methylselenocysteine

Description

Se-Methylselenocysteine (SeMSC) is a naturally occurring seleno-amino acid that is synthesized by plants such as garlic, astragalus, onions, and broccoli. It cannot be synthesized by higher animals. Unlike selenomethionine, which is incorporated into proteins in place of methionine, SeMSC is not incorporated into any proteins, thereby being fully available for the synthesis of selenium-containing enzymes such as glutathione peroxidase. Selenomethionine is the major seleno-compound in cereal grains (wheat grain, maize, and rice), soybeans, and enriched yeast. Seleno-compounds present in plants may have a profound effect upon the health of animals and human subjects. It is now known that the total Se content cannot be used as an indication of its efficacy, but knowledge of individual selenocompounds is necessary to fully assess the significance. Thus, speciation of the seleno-compounds has moved to the forefront. Since animals and man are dependent upon plants for their nutritional requirements, this makes the types of seleno-compounds in plants even more critical. Se enters the food chain through incorporation into plant proteins, mostly as selenocysteine and selenomethionine at normal Se levels. There are two possible pathways for the catabolism of selenomethionine: (1) a transsulfuration pathway via selenocystathionine to produce selenocysteine, which in turn is degraded to H2Se by the enzyme beta-lyase and (2) a transamination-decarboxylation pathway. It was estimated that 90% of methionine is metabolized through this pathway and thus could be also the major route for selenomethionine catabolism (PMID: 14748935 , Br J Nutr. 2004 Jan;91(1):11-28.). Selenomethionine is an amino acid containing selenium. The L-isomer of selenomethionine, known as Se-met and Sem, is a common natural food source of selenium. In vivo, selenomethionine is randomly incorporated instead of methionine and is readily oxidized. Its antioxidant activity arises from its ability to deplete reactive species. Selenium and sulfur are chalcogen elements that share many chemical properties and the substitution of methionine to selenomethionine may have no effect on protein structure and function. However, the incorporation of selenomethionine into tissue proteins and keratin in horses causes alkali disease. Alkali disease is characterized by emaciation, loss of hair, deformation and shedding of hooves, loss of vitality, and erosion of the joints of long bones.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L-Methylselenocysteine	ChEBI
Methyl-L-selenocysteine	ChEBI
Methylselenocysteine	ChEBI
Se-methyl-seleno-L-cysteine	ChEBI
Se-methyl-selenocysteine	ChEBI
Selenium methyl cysteine	ChEBI
Selenium-methylselenocystine	ChEBI
Selenohomocysteine	ChEBI
Selenomethylselenocysteine	ChEBI
3-(Methylseleno)-L-alanine	HMDB
Se-methyl-L-selenocysteine	HMDB
L-Methyl-selenocysteine	HMDB
Methyl selenocysteine	HMDB
Selenomethylselenocysteine, (D,L)-isomer	HMDB
Selenomethylselenocysteine, (L)-isomer, 75Se-labeled	HMDB
SeMCys	HMDB
Selenomethylselenocysteine, (L)-isomer	HMDB
Methylseleno-L-cysteine	HMDB
Selenomethyl selenocysteine	HMDB
Se-Methylselenocysteine	HMDB

Chemical Formula

C₄H₉NO₂Se

Average Molecular Weight

182.08

Monoisotopic Molecular Weight

182.979850365

IUPAC Name

(2R)-2-amino-3-(methylselanyl)propanoic acid

Traditional Name

methylselenocysteine

CAS Registry Number

26046-90-2

SMILES

C[Se]C[C@H](N)C(O)=O

InChI Identifier

InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

InChI Key

XDSSPSLGNGIIHP-VKHMYHEASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Selenoether
Amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Primary amine
Organoselenium compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Primary aliphatic amine
Organic nitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

non-proteinogenic L-alpha-amino acid (CHEBI:27812 )
Se-methylselenocysteine (CHEBI:27812 )
L-selenocysteine derivative (CHEBI:27812 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0031466)
Cytoplasm (HMDB: HMDB0031466)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0031466)

Source

Endogenous

Endogenous (HMDB: HMDB0031466)

Plant

Plant (HMDB: HMDB0031466)

Exogenous

Food

Food (HMDB: HMDB0031466)

Vegetable

Onion-family vegetable

Garden onion (FooDB: FOOD00006)

Exogenous (HMDB: HMDB0031466)

Process

Not Available

Role

Biological role

Anti neoplastic (HMDB: HMDB0031466)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	156 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-3.5	ChemAxon
logS	-0.07	ALOGPS
pKa (Strongest Acidic)	1.46	ChemAxon
pKa (Strongest Basic)	8.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	63.32 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	38.2 m³·mol⁻¹	ChemAxon
Polarizability	12.89 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	126.696	30932474
DeepCCS	[M-H]-	123.415	30932474
DeepCCS	[M-2H]-	160.289	30932474
DeepCCS	[M+Na]+	135.311	30932474
AllCCS	[M+H]+	137.0	32859911
AllCCS	[M+H-H2O]+	133.2	32859911
AllCCS	[M+NH4]+	140.5	32859911
AllCCS	[M+Na]+	141.5	32859911
AllCCS	[M-H]-	142.7	32859911
AllCCS	[M+Na-2H]-	146.0	32859911
AllCCS	[M+HCOO]-	149.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Se-Methylselenocysteine	C[Se]C[C@H](N)C(O)=O	1868.4	Standard polar	33892256
Se-Methylselenocysteine	C[Se]C[C@H](N)C(O)=O	1253.6	Standard non polar	33892256
Se-Methylselenocysteine	C[Se]C[C@H](N)C(O)=O	2033.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Se-Methylselenocysteine,1TMS,isomer #1	C[Se]C[C@H](N)C(=O)O[Si](C)(C)C	1361.9	Semi standard non polar	33892256
Se-Methylselenocysteine,1TMS,isomer #2	C[Se]C[C@H](N[Si](C)(C)C)C(=O)O	1443.5	Semi standard non polar	33892256
Se-Methylselenocysteine,2TMS,isomer #1	C[Se]C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1464.3	Semi standard non polar	33892256
Se-Methylselenocysteine,2TMS,isomer #1	C[Se]C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1325.7	Standard non polar	33892256
Se-Methylselenocysteine,2TMS,isomer #1	C[Se]C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1431.9	Standard polar	33892256
Se-Methylselenocysteine,2TMS,isomer #2	C[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1574.5	Semi standard non polar	33892256
Se-Methylselenocysteine,2TMS,isomer #2	C[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1378.0	Standard non polar	33892256
Se-Methylselenocysteine,2TMS,isomer #2	C[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1582.8	Standard polar	33892256
Se-Methylselenocysteine,3TMS,isomer #1	C[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1587.2	Semi standard non polar	33892256
Se-Methylselenocysteine,3TMS,isomer #1	C[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1451.5	Standard non polar	33892256
Se-Methylselenocysteine,3TMS,isomer #1	C[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1399.2	Standard polar	33892256
Se-Methylselenocysteine,1TBDMS,isomer #1	C[Se]C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	1623.1	Semi standard non polar	33892256
Se-Methylselenocysteine,1TBDMS,isomer #2	C[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O	1689.4	Semi standard non polar	33892256
Se-Methylselenocysteine,2TBDMS,isomer #1	C[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	1938.9	Semi standard non polar	33892256
Se-Methylselenocysteine,2TBDMS,isomer #1	C[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	1733.3	Standard non polar	33892256
Se-Methylselenocysteine,2TBDMS,isomer #1	C[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	1709.9	Standard polar	33892256
Se-Methylselenocysteine,2TBDMS,isomer #2	C[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2039.0	Semi standard non polar	33892256
Se-Methylselenocysteine,2TBDMS,isomer #2	C[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1796.6	Standard non polar	33892256
Se-Methylselenocysteine,2TBDMS,isomer #2	C[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1778.9	Standard polar	33892256
Se-Methylselenocysteine,3TBDMS,isomer #1	C[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2291.5	Semi standard non polar	33892256
Se-Methylselenocysteine,3TBDMS,isomer #1	C[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2064.3	Standard non polar	33892256
Se-Methylselenocysteine,3TBDMS,isomer #1	C[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1821.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Se-Methylselenocysteine GC-MS (1 TMS)	splash10-000i-2900000000-584579d62a5c494d1ad4	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Se-Methylselenocysteine GC-MS (2 TMS)	splash10-0i00-1960000000-c1d9d3d6c03ef447c682	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Se-Methylselenocysteine GC-MS (Non-derivatized)	splash10-000i-2900000000-584579d62a5c494d1ad4	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Se-Methylselenocysteine GC-MS (Non-derivatized)	splash10-0i00-1960000000-c1d9d3d6c03ef447c682	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Methylselenocysteine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9400000000-b52de18849d5860694de	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Methylselenocysteine GC-MS (1 TMS) - 70eV, Positive	splash10-00dl-9110000000-370afb49a49bc4836d3e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Methylselenocysteine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 10V, Positive-QTOF	splash10-001r-0900000000-87ae6338ccd9513f5db0	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 20V, Positive-QTOF	splash10-001r-1900000000-204e0c71178a372a67d0	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 40V, Positive-QTOF	splash10-000f-9800000000-f08ef5fe840b11c1330b	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 10V, Negative-QTOF	splash10-00lu-5900000000-267cb39ae0470e212ce2	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 20V, Negative-QTOF	splash10-0079-9400000000-7ae0b50471ba90d5656c	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 40V, Negative-QTOF	splash10-0006-9300000000-7580c3589d69535a4bb7	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 10V, Negative-QTOF	splash10-0006-9000000000-f9689d19a8a4fb34dc2c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 20V, Negative-QTOF	splash10-0006-9000000000-f9689d19a8a4fb34dc2c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 40V, Negative-QTOF	splash10-0006-9000000000-f9689d19a8a4fb34dc2c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 10V, Positive-QTOF	splash10-00lr-0900000000-d519041b7fbf3920f7ee	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 20V, Positive-QTOF	splash10-00y0-0900000000-88e1671d699eb2ba3233	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Methylselenocysteine 40V, Positive-QTOF	splash10-00dl-5900000000-c1dd9e6e9d3616306ddc	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Prostate

Pathways

Name	SMPDB/PathBank	KEGG
Selenocompound metabolism	Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB12697

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Methylselenocysteine

METLIN ID

7019

PubChem Compound

147004

PDB ID

Not Available

ChEBI ID

27812

Food Biomarker Ontology

Not Available

VMH ID

M02895

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Spallholz, Julian E.; Reid, Ted W.; Walkup, Robert D. A method of using synthetic L-Se-methylselenocysteine as a nutriceutical. Eur. Pat. Appl. (2002), 21 pp.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Yin MB, Li ZR, Cao S, Durrani FA, Azrak RG, Frank C, Rustum YM: Enhanced 7-ethyl-10-hydroxycamptothecin (SN-38) lethality by methylselenocysteine is associated with Chk2 phosphorylation at threonine-68 and down-regulation of Cdc6 expression. Mol Pharmacol. 2004 Jul;66(1):153-60. [PubMed:15213307 ]
Whanger PD: Selenium and its relationship to cancer: an update. Br J Nutr. 2004 Jan;91(1):11-28. [PubMed:14748935 ]
(). Duke, James A. (1992) Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.. .

Enzymes

Enzyme Details

1. Kynurenine--oxoglutarate transaminase 1

General function:: Involved in 1-aminocyclopropane-1-carboxylate synthase activity
Specific function:: Catalyzes the irreversible transamination of the L-tryptophan metabolite L-kynurenine to form kynurenic acid (KA). Metabolizes the cysteine conjugates of certain halogenated alkenes and alkanes to form reactive metabolites. Catalyzes the beta-elimination of S-conjugates and Se-conjugates of L-(seleno)cysteine, resulting in the cleavage of the C-S or C-Se bond.
Gene Name:: CCBL1
Uniprot ID:: Q16773
Molecular weight:: 47874.765

Reactions

Se-Methylselenocysteine + 2-Oxo-4-methylthiobutanoic acid → Methylselenopyruvate + Methionine	details

Enzyme Details

2. Gamma-glutamyltranspeptidase 1

General function:: Involved in gamma-glutamyltransferase activity
Specific function:: Initiates extracellular glutathione (GSH) breakdown, provides cells with a local cysteine supply and contributes to maintain intracellular GSH level. It is part of the cell antioxidant defense mechanism. Catalyzes the transfer of the glutamyl moiety of glutathione to amino acids and dipeptide acceptors. Alternatively, glutathione can be hydrolyzed to give Cys-Gly and gamma glutamate. Isoform 3 seems to be inactive.
Gene Name:: GGT1
Uniprot ID:: P19440
Molecular weight:: 61409.67

Reactions

(5-L-Glutamyl)-peptide + Se-Methylselenocysteine → Peptide + Gamma-Glutamyl-Se-methylselenocysteine	details

Enzyme Details

3. Gamma-glutamyltransferase 7

General function:: Involved in gamma-glutamyltransferase activity
Specific function:: Cleaves glutathione conjugates (By similarity).
Gene Name:: GGT7
Uniprot ID:: Q9UJ14
Molecular weight:: 70466.015

Reactions

(5-L-Glutamyl)-peptide + Se-Methylselenocysteine → Peptide + Gamma-Glutamyl-Se-methylselenocysteine	details

Enzyme Details

4. Selenocysteine lyase

General function:: Involved in metabolic process
Specific function:: Catalyzes the decomposition of L-selenocysteine to L-alanine and elemental selenium (By similarity).
Gene Name:: SCLY
Uniprot ID:: Q96I15
Molecular weight:: 48793.15

Reactions

Se-Methylselenocysteine + Water → Pyruvic acid + Ammonia + Methaneselenol	details

Enzyme Details

5. Gamma-glutamyltransferase 6

General function:: Involved in gamma-glutamyltransferase activity
Specific function:: Cleaves glutathione conjugates (By similarity).
Gene Name:: GGT6
Uniprot ID:: Q6P531
Molecular weight:: 50508.83

Reactions

(5-L-Glutamyl)-peptide + Se-Methylselenocysteine → Peptide + Gamma-Glutamyl-Se-methylselenocysteine	details

Enzyme Details

6. Kynurenine--oxoglutarate transaminase 3

General function:: Involved in transferase activity, transferring nitrogenous groups
Specific function:: Catalyzes the irreversible transamination of the L-tryptophan metabolite L-kynurenine to form kynurenic acid (KA). May catalyze the beta-elimination of S-conjugates and Se-conjugates of L-(seleno)cysteine, resulting in the cleavage of the C-S or C-Se bond (By similarity). Has transaminase activity towards L-kynurenine, tryptophan, phenylalanine, serine, cysteine, methionine, histidine, glutamine and asparagine with glyoxylate as an amino group acceptor (in vitro). Has lower activity with 2-oxoglutarate as amino group acceptor (in vitro) (By similarity).
Gene Name:: CCBL2
Uniprot ID:: Q6YP21
Molecular weight:: 51399.855

Reactions

Se-Methylselenocysteine + 2-Oxo-4-methylthiobutanoic acid → Methylselenopyruvate + Methionine	details

Enzyme Details

7. GGT7 protein

General function:: Involved in gamma-glutamyltransferase activity
Specific function:: Not Available
Gene Name:: GGT7
Uniprot ID:: A0PJJ9
Molecular weight:: 62565.3

Enzyme Details

8. Gamma-glutamyltransferase 5

General function:: Involved in gamma-glutamyltransferase activity
Specific function:: Cleaves the gamma-glutamyl peptide bond of glutathione conjugates, but maybe not glutathione itself. Converts leukotriene C4 (LTC4) to leukotriene D4 (LTD4).
Gene Name:: GGT5
Uniprot ID:: P36269
Molecular weight:: 62331.75

Reactions

(5-L-Glutamyl)-peptide + Se-Methylselenocysteine → Peptide + Gamma-Glutamyl-Se-methylselenocysteine	details

Showing metabocard for Se-Methylselenocysteine (HMDB0004113)

MOL for HMDB0004113 (Se-Methylselenocysteine)

3D MOL for HMDB0004113 (Se-Methylselenocysteine)

3D SDF for HMDB0004113 (Se-Methylselenocysteine)

3D-SDF for HMDB0004113 (Se-Methylselenocysteine)

PDB for HMDB0004113 (Se-Methylselenocysteine)

3D PDB for HMDB0004113 (Se-Methylselenocysteine)

SMILES for HMDB0004113 (Se-Methylselenocysteine)

INCHI for HMDB0004113 (Se-Methylselenocysteine)

Structure for HMDB0004113 (Se-Methylselenocysteine)

3D Structure for HMDB0004113 (Se-Methylselenocysteine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

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