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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-11 18:32:31 UTC

Update Date

2022-09-22 18:34:25 UTC

HMDB ID

HMDB0033780

Secondary Accession Numbers

HMDB33780

Metabolite Identification

Common Name

D-Asparagine

Description

D-Asparagine, also known as DSG, belongs to the class of organic compounds known as asparagine and derivatives. D-Asparagome is a non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. It is codified by the codons AAU and AAC. It is biosynthesized from Aspartic acid and Ammonia by asparagine synthetase.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2R)-2,4-Diamino-4-oxobutanoic acid	ChEBI
(2R)-2-Amino-3-carbamoylpropanoic acid	ChEBI
(R)-2-Amino-3-carbamoylpropanoic acid	ChEBI
D-2-Aminosuccinamic acid	ChEBI
D-Asparagin	ChEBI
D-Aspartic acid beta-amide	ChEBI
DSG	ChEBI
(2R)-2,4-Diamino-4-oxobutanoate	Generator
(2R)-2-Amino-3-carbamoylpropanoate	Generator
(R)-2-Amino-3-carbamoylpropanoate	Generator
D-2-Aminosuccinamate	Generator
D-Aspartate b-amide	Generator
D-Aspartate beta-amide	Generator
D-Aspartate β-amide	Generator
D-Aspartic acid b-amide	Generator
D-Aspartic acid β-amide	Generator
(R)-2-Aminosuccinamic acid	HMDB
(R)-2-Aminosuccinic acid 4-amide	HMDB
D-Aspartic acid 4-amide	HMDB

Chemical Formula

C₄H₈N₂O₃

Average Molecular Weight

132.1179

Monoisotopic Molecular Weight

132.053492132

IUPAC Name

(2R)-2-amino-3-carbamoylpropanoic acid

Traditional Name

D-asparagine

CAS Registry Number

2058-58-4

SMILES

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

InChI Identifier

InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1

InChI Key

DCXYFEDJOCDNAF-UWTATZPHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as asparagine and derivatives. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Asparagine and derivatives

Alternative Parents

Substituents

Asparagine or derivatives
Alpha-amino acid
D-alpha-amino acid
Fatty amide
Fatty acyl
Fatty acid
Carboxamide group
Amino acid
Primary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

D-alpha-amino acid (CHEBI:28159 )
asparagine (CHEBI:28159 )
Other amino acids (C01905 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033780)
Cytoplasm (HMDB: HMDB0033780)

Source

Exogenous

Exogenous (HMDB: HMDB0033780)

Food

Food (HMDB: HMDB0033780)

Endogenous

Endogenous (HMDB: HMDB0033780)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0033780)

Biological role

Nutrient (HMDB: HMDB0033780)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	234 - 235 °C	Not Available
Boiling Point	438.03 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	68770 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	-1.880 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	168 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-4.3	ChemAxon
logS	0.1	ALOGPS
pKa (Strongest Acidic)	2	ChemAxon
pKa (Strongest Basic)	8.43	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	106.41 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	28.35 m³·mol⁻¹	ChemAxon
Polarizability	11.77 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
DarkChem	[M+H]+	127.702	31661259
DarkChem	[M-H]-	121.955	31661259
DeepCCS	[M+H]+	123.013	30932474
DeepCCS	[M-H]-	119.374	30932474
DeepCCS	[M-2H]-	156.663	30932474
DeepCCS	[M+Na]+	131.762	30932474
AllCCS	[M+H]+	131.2	32859911
AllCCS	[M+H-H2O]+	127.1	32859911
AllCCS	[M+NH4]+	135.1	32859911
AllCCS	[M+Na]+	136.2	32859911
AllCCS	[M-H]-	122.4	32859911
AllCCS	[M+Na-2H]-	125.1	32859911
AllCCS	[M+HCOO]-	128.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-Asparagine	N[C@H](CC(N)=O)C(O)=O	1970.3	Standard polar	33892256
D-Asparagine	N[C@H](CC(N)=O)C(O)=O	1207.9	Standard non polar	33892256
D-Asparagine	N[C@H](CC(N)=O)C(O)=O	1931.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-Asparagine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](N)CC(N)=O	1480.3	Semi standard non polar	33892256
D-Asparagine,1TMS,isomer #2	C[Si](C)(C)N[C@H](CC(N)=O)C(=O)O	1554.1	Semi standard non polar	33892256
D-Asparagine,1TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](N)C(=O)O	1575.0	Semi standard non polar	33892256
D-Asparagine,2TMS,isomer #1	C[Si](C)(C)N[C@H](CC(N)=O)C(=O)O[Si](C)(C)C	1577.0	Semi standard non polar	33892256
D-Asparagine,2TMS,isomer #1	C[Si](C)(C)N[C@H](CC(N)=O)C(=O)O[Si](C)(C)C	1579.7	Standard non polar	33892256
D-Asparagine,2TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@@H](N)C(=O)O[Si](C)(C)C	1552.7	Semi standard non polar	33892256
D-Asparagine,2TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@@H](N)C(=O)O[Si](C)(C)C	1668.8	Standard non polar	33892256
D-Asparagine,2TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](N[Si](C)(C)C)C(=O)O	1647.5	Semi standard non polar	33892256
D-Asparagine,2TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](N[Si](C)(C)C)C(=O)O	1676.0	Standard non polar	33892256
D-Asparagine,2TMS,isomer #4	C[Si](C)(C)N([C@H](CC(N)=O)C(=O)O)[Si](C)(C)C	1734.3	Semi standard non polar	33892256
D-Asparagine,2TMS,isomer #4	C[Si](C)(C)N([C@H](CC(N)=O)C(=O)O)[Si](C)(C)C	1633.9	Standard non polar	33892256
D-Asparagine,2TMS,isomer #5	C[Si](C)(C)N(C(=O)C[C@@H](N)C(=O)O)[Si](C)(C)C	1715.3	Semi standard non polar	33892256
D-Asparagine,2TMS,isomer #5	C[Si](C)(C)N(C(=O)C[C@@H](N)C(=O)O)[Si](C)(C)C	1689.0	Standard non polar	33892256
D-Asparagine,3TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1668.6	Semi standard non polar	33892256
D-Asparagine,3TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1696.3	Standard non polar	33892256
D-Asparagine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	1729.5	Semi standard non polar	33892256
D-Asparagine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	1687.5	Standard non polar	33892256
D-Asparagine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	1670.2	Semi standard non polar	33892256
D-Asparagine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	1739.7	Standard non polar	33892256
D-Asparagine,3TMS,isomer #4	C[Si](C)(C)N[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	1749.3	Semi standard non polar	33892256
D-Asparagine,3TMS,isomer #4	C[Si](C)(C)N[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	1717.5	Standard non polar	33892256
D-Asparagine,3TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1799.7	Semi standard non polar	33892256
D-Asparagine,3TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1755.2	Standard non polar	33892256
D-Asparagine,4TMS,isomer #1	C[Si](C)(C)N[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1767.5	Semi standard non polar	33892256
D-Asparagine,4TMS,isomer #1	C[Si](C)(C)N[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1789.1	Standard non polar	33892256
D-Asparagine,4TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1813.2	Semi standard non polar	33892256
D-Asparagine,4TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1800.9	Standard non polar	33892256
D-Asparagine,4TMS,isomer #3	C[Si](C)(C)N(C(=O)C[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1878.6	Semi standard non polar	33892256
D-Asparagine,4TMS,isomer #3	C[Si](C)(C)N(C(=O)C[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1849.9	Standard non polar	33892256
D-Asparagine,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1952.7	Semi standard non polar	33892256
D-Asparagine,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1906.5	Standard non polar	33892256
D-Asparagine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CC(N)=O	1705.2	Semi standard non polar	33892256
D-Asparagine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H](CC(N)=O)C(=O)O	1796.6	Semi standard non polar	33892256
D-Asparagine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](N)C(=O)O	1813.3	Semi standard non polar	33892256
D-Asparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2018.7	Semi standard non polar	33892256
D-Asparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	1977.5	Standard non polar	33892256
D-Asparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C	1995.6	Semi standard non polar	33892256
D-Asparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](N)C(=O)O[Si](C)(C)C(C)(C)C	2045.0	Standard non polar	33892256
D-Asparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O	2106.3	Semi standard non polar	33892256
D-Asparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O	2028.6	Standard non polar	33892256
D-Asparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N([C@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2171.1	Semi standard non polar	33892256
D-Asparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N([C@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2037.3	Standard non polar	33892256
D-Asparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2124.3	Semi standard non polar	33892256
D-Asparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C[C@@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2100.7	Standard non polar	33892256
D-Asparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2297.4	Semi standard non polar	33892256
D-Asparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2256.1	Standard non polar	33892256
D-Asparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2388.8	Semi standard non polar	33892256
D-Asparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2311.7	Standard non polar	33892256
D-Asparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2310.9	Semi standard non polar	33892256
D-Asparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2364.2	Standard non polar	33892256
D-Asparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2394.3	Semi standard non polar	33892256
D-Asparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2325.7	Standard non polar	33892256
D-Asparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2435.4	Semi standard non polar	33892256
D-Asparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2322.4	Standard non polar	33892256
D-Asparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2591.2	Semi standard non polar	33892256
D-Asparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2534.1	Standard non polar	33892256
D-Asparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)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	2641.7	Semi standard non polar	33892256
D-Asparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)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	2528.0	Standard non polar	33892256
D-Asparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2730.7	Semi standard non polar	33892256
D-Asparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2606.8	Standard non polar	33892256
D-Asparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2942.3	Semi standard non polar	33892256
D-Asparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2795.8	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-Asparagine GC-MS (Non-derivatized) - 70eV, Positive	splash10-000f-9100000000-5881591331bd059b7e7d	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Asparagine GC-MS (1 TMS) - 70eV, Positive	splash10-000i-9200000000-486021baa3768a16df83	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Asparagine 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 - D-Asparagine 10V, Positive-QTOF	splash10-015i-9700000000-74565d33539905a7f4e3	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 20V, Positive-QTOF	splash10-00dr-9100000000-439d8b494bcc2c657584	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 40V, Positive-QTOF	splash10-0006-9000000000-3d057971482c08a22ae1	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 10V, Negative-QTOF	splash10-001i-4900000000-44107cc9e625603aa1d4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 20V, Negative-QTOF	splash10-0016-9300000000-887eb70e6788b4b7c513	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 40V, Negative-QTOF	splash10-0006-9000000000-d76a7af45b6c73471794	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 10V, Negative-QTOF	splash10-03di-1900000000-831feb8b7ce011d73c8e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 20V, Negative-QTOF	splash10-0076-9200000000-1bed3281e3ab973b1841	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 40V, Negative-QTOF	splash10-0006-9000000000-b990d7063181be79cb69	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 10V, Positive-QTOF	splash10-00xr-9300000000-e07b80cc3c9fd3b9281d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 20V, Positive-QTOF	splash10-00di-9000000000-5c032b7eeb69c0213827	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Asparagine 40V, Positive-QTOF	splash10-0006-9000000000-a7471da8aeb0443ffb99	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details