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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2007-04-12 20:38:27 UTC

Update Date

2023-05-30 20:55:59 UTC

HMDB ID

HMDB0006029

Secondary Accession Numbers

HMDB06029

Metabolite Identification

Common Name

N-Acetylglutamine

Description

N-Acetyl-L-glutamine (NAcGln) or N-Acetylglutamine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylglutamine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylglutamine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-glutamine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618 ). About 85% of all human proteins and 68% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686 ). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT‚Äôs (PMID: 30054468 ). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468 ). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylglutamine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618 ). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free glutamine can also occur. In particular, N-Acetylglutamine can be biosynthesized from L-glutamine and acetyl-CoA by the enzyme glutamine N-acyltransferase (EC 2.3.1.68). Excessive amounts N-acetyl amino acids including N-acetylglutamine (as well as N-acetylglycine, N-acetylserine, N-acetylmethionine, N-acetylglutamate, N-acetylalanine, N-acetylleucine and smaller amounts of N-acetylthreonine, N-acetylisoleucine, and N-acetylvaline) can be detected in the urine with individuals with acylase I deficiency, a genetic disorder (PMID: 16465618 ). Aminoacylase I is a soluble homodimeric zinc binding enzyme that catalyzes the formation of free aliphatic amino acids from N-acetylated precursors. In humans, Aminoacylase I is encoded by the aminoacylase 1 gene (ACY1) on chromosome 3p21 that consists of 15 exons (OMIM 609924 ). Individuals with aminoacylase I deficiency will experience convulsions, hearing loss and difficulty feeding (PMID: 16465618 ). ACY1 can also catalyze the reverse reaction, the synthesis of acetylated amino acids. Many N-acetylamino acids, including N-acetylglutamine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986 ; PMID: 20613759 ). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557 ). N-acetylglutamine can be used for parenteral nutrition as a source of glutamine since glutamine is too unstable whereas N-acetylglutamine is very stable. In patients treated with aminoglycosides and/or glycopeptides, an elevation of N-acetylglutamine in urine suggests renal tubular injury.

Structure

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

  Mrv1652305271900222D          

 13 12  0  0  0  0            999 V2000
10000.728110000.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.013610000.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.299310000.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.585010000.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.870710000.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.585010001.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.7281 9999.5886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.4437 9999.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1592 9999.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4437 9998.3503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.443710000.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.159210000.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.443710001.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  1  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006029

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N[C@@H](CCC(N)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1

> <INCHI_KEY>
KSMRODHGGIIXDV-YFKPBYRVSA-N

> <FORMULA>
C7H12N2O4

> <MOLECULAR_WEIGHT>
188.1812

> <EXACT_MASS>
188.079706882

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.808996715530206

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-4-carbamoyl-2-acetamidobutanoic acid

> <ALOGPS_LOGP>
-2.17

> <JCHEM_LOGP>
-1.9199580303333328

> <ALOGPS_LOGS>
-0.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.381439356540206

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.75633472581357

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3808132816834053

> <JCHEM_POLAR_SURFACE_AREA>
109.49000000000001

> <JCHEM_REFRACTIVITY>
42.553700000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.19e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-acetyl-L-glutamine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0    8668.0268667.436   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8666.6928668.206   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8665.3598667.436   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8664.0258668.206   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0    8662.6928667.436   0.000  0.00  0.00           N+0
HETATM    6  O   UNK     0    8664.0258669.746   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0    8668.0268665.899   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0    8669.3628665.127   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8670.6978665.899   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    8669.3628663.587   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    8669.3628668.206   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0    8670.6978667.436   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8669.3628669.746   0.000  0.00  0.00           O+0
CONECT    1    2    7   11                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    1    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    1   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N~2~-acetyl-L-glutamine	ChEBI
N-Acetyl-L-glutamine	HMDB
Aceglutamide	HMDB
Acetylglutamine	HMDB
NAcGln	HMDB
L-N2-Acetyl-glutamine	HMDB
L-N2-Acetylglutamine	HMDB
N2-Acetyl-L-glutamine	HMDB
N2-Acetylglutamine	HMDB
alpha-N-Acetyl-L-glutamine	HMDB
Α-N-acetyl-L-glutamine	HMDB
(2S)-2-Acetamido-5-amino-5-oxopentanoic acid	HMDB
(2S)-4-Carbamoyl-2-acetamidobutanoic acid	HMDB
N-Acetylglutamine	MeSH

Chemical Formula

C₇H₁₂N₂O₄

Average Molecular Weight

188.1812

Monoisotopic Molecular Weight

188.079706882

IUPAC Name

(2S)-4-carbamoyl-2-acetamidobutanoic acid

Traditional Name

N-acetyl-L-glutamine

CAS Registry Number

2490-97-3

SMILES

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

InChI Identifier

InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1

InChI Key

KSMRODHGGIIXDV-YFKPBYRVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine 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

Glutamine and derivatives

Alternative Parents

Substituents

Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
N-acyl-l-glutamine
Fatty amide
Fatty acyl
Fatty acid
Acetamide
Carboxamide group
Primary carboxylic acid amide
Secondary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organonitrogen compound
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

N-acetyl-L-amino acid (CHEBI:21553 )
N(2)-acyl-L-glutamine (CHEBI:21553 )
N(2)-acetylglutamine (CHEBI:21553 )

Ontology

Physiological effect

Health effect

Digestive system disorder

Hepatobiliary disorder

Hepatic disorder

Liver damage (PMID: 31434538)

Nervous system disorder

Nerve damage (PMID: 31434538)

Disposition

Biological location

Organ

Placenta (HMDB: HMDB0006029)

Excreta

Biofluid or Excreta

Urine (PMID: 21389975)
Feces (PMID: 27543620)

Source

Exogenous

Exogenous (HMDB: HMDB0006029)

Food

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Endogenous

Endogenous (HMDB: HMDB0006029)

Process

Not Available

Role

Biological role

Waste product (PMID: 35448883)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	197 °C	Not Available
Boiling Point	604.00 to 605.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Water Solubility	155300 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	-2.635 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	MetCCS_train_neg	136.824	30932474
[M-H]-	Not Available	136.827	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000063

Predicted Molecular Properties

Property	Value	Source
Water Solubility	21.9 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-1.9	ChemAxon
logS	-0.93	ALOGPS
pKa (Strongest Acidic)	3.76	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	109.49 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	42.55 m³·mol⁻¹	ChemAxon
Polarizability	17.81 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]+	136.166	30932474
DeepCCS	[M-H]-	133.364	30932474
DeepCCS	[M-2H]-	169.739	30932474
DeepCCS	[M+Na]+	145.277	30932474
AllCCS	[M+H]+	141.9	32859911
AllCCS	[M+H-H2O]+	138.2	32859911
AllCCS	[M+NH4]+	145.4	32859911
AllCCS	[M+Na]+	146.3	32859911
AllCCS	[M-H]-	137.5	32859911
AllCCS	[M+Na-2H]-	138.7	32859911
AllCCS	[M+HCOO]-	140.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-Acetylglutamine	CC(=O)N[C@@H](CCC(N)=O)C(O)=O	2612.5	Standard polar	33892256
N-Acetylglutamine	CC(=O)N[C@@H](CCC(N)=O)C(O)=O	1750.3	Standard non polar	33892256
N-Acetylglutamine	CC(=O)N[C@@H](CCC(N)=O)C(O)=O	2003.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-Acetylglutamine,1TMS,isomer #1	CC(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	1791.6	Semi standard non polar	33892256
N-Acetylglutamine,1TMS,isomer #2	CC(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O	1832.2	Semi standard non polar	33892256
N-Acetylglutamine,1TMS,isomer #3	CC(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	1835.3	Semi standard non polar	33892256
N-Acetylglutamine,2TMS,isomer #1	CC(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1899.8	Semi standard non polar	33892256
N-Acetylglutamine,2TMS,isomer #1	CC(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1916.9	Standard non polar	33892256
N-Acetylglutamine,2TMS,isomer #1	CC(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2658.1	Standard polar	33892256
N-Acetylglutamine,2TMS,isomer #2	CC(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1846.9	Semi standard non polar	33892256
N-Acetylglutamine,2TMS,isomer #2	CC(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1840.7	Standard non polar	33892256
N-Acetylglutamine,2TMS,isomer #2	CC(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2930.9	Standard polar	33892256
N-Acetylglutamine,2TMS,isomer #3	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	1890.5	Semi standard non polar	33892256
N-Acetylglutamine,2TMS,isomer #3	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	1968.4	Standard non polar	33892256
N-Acetylglutamine,2TMS,isomer #3	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2585.9	Standard polar	33892256
N-Acetylglutamine,2TMS,isomer #4	CC(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	1999.5	Semi standard non polar	33892256
N-Acetylglutamine,2TMS,isomer #4	CC(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	1945.9	Standard non polar	33892256
N-Acetylglutamine,2TMS,isomer #4	CC(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2944.2	Standard polar	33892256
N-Acetylglutamine,3TMS,isomer #1	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1916.4	Semi standard non polar	33892256
N-Acetylglutamine,3TMS,isomer #1	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1964.2	Standard non polar	33892256
N-Acetylglutamine,3TMS,isomer #1	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2235.0	Standard polar	33892256
N-Acetylglutamine,3TMS,isomer #2	CC(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2028.3	Semi standard non polar	33892256
N-Acetylglutamine,3TMS,isomer #2	CC(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1974.7	Standard non polar	33892256
N-Acetylglutamine,3TMS,isomer #2	CC(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2370.7	Standard polar	33892256
N-Acetylglutamine,3TMS,isomer #3	CC(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	1976.2	Semi standard non polar	33892256
N-Acetylglutamine,3TMS,isomer #3	CC(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2024.4	Standard non polar	33892256
N-Acetylglutamine,3TMS,isomer #3	CC(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2378.5	Standard polar	33892256
N-Acetylglutamine,4TMS,isomer #1	CC(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1992.3	Semi standard non polar	33892256
N-Acetylglutamine,4TMS,isomer #1	CC(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2043.9	Standard non polar	33892256
N-Acetylglutamine,4TMS,isomer #1	CC(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2094.4	Standard polar	33892256
N-Acetylglutamine,1TBDMS,isomer #1	CC(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2052.6	Semi standard non polar	33892256
N-Acetylglutamine,1TBDMS,isomer #2	CC(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2107.0	Semi standard non polar	33892256
N-Acetylglutamine,1TBDMS,isomer #3	CC(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2063.8	Semi standard non polar	33892256
N-Acetylglutamine,2TBDMS,isomer #1	CC(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2376.1	Semi standard non polar	33892256
N-Acetylglutamine,2TBDMS,isomer #1	CC(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2285.7	Standard non polar	33892256
N-Acetylglutamine,2TBDMS,isomer #1	CC(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2650.8	Standard polar	33892256
N-Acetylglutamine,2TBDMS,isomer #2	CC(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2297.9	Semi standard non polar	33892256
N-Acetylglutamine,2TBDMS,isomer #2	CC(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2258.3	Standard non polar	33892256
N-Acetylglutamine,2TBDMS,isomer #2	CC(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2900.4	Standard polar	33892256
N-Acetylglutamine,2TBDMS,isomer #3	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2362.3	Semi standard non polar	33892256
N-Acetylglutamine,2TBDMS,isomer #3	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2312.3	Standard non polar	33892256
N-Acetylglutamine,2TBDMS,isomer #3	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2622.7	Standard polar	33892256
N-Acetylglutamine,2TBDMS,isomer #4	CC(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2448.5	Semi standard non polar	33892256
N-Acetylglutamine,2TBDMS,isomer #4	CC(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2324.2	Standard non polar	33892256
N-Acetylglutamine,2TBDMS,isomer #4	CC(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2787.2	Standard polar	33892256
N-Acetylglutamine,3TBDMS,isomer #1	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2579.1	Semi standard non polar	33892256
N-Acetylglutamine,3TBDMS,isomer #1	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2521.2	Standard non polar	33892256
N-Acetylglutamine,3TBDMS,isomer #1	CC(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2555.0	Standard polar	33892256
N-Acetylglutamine,3TBDMS,isomer #2	CC(=O)N[C@@H](CCC(=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	2664.9	Semi standard non polar	33892256
N-Acetylglutamine,3TBDMS,isomer #2	CC(=O)N[C@@H](CCC(=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	2556.9	Standard non polar	33892256
N-Acetylglutamine,3TBDMS,isomer #2	CC(=O)N[C@@H](CCC(=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	2593.6	Standard polar	33892256
N-Acetylglutamine,3TBDMS,isomer #3	CC(=O)N([C@@H](CCC(=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	2651.3	Semi standard non polar	33892256
N-Acetylglutamine,3TBDMS,isomer #3	CC(=O)N([C@@H](CCC(=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	2588.8	Standard non polar	33892256
N-Acetylglutamine,3TBDMS,isomer #3	CC(=O)N([C@@H](CCC(=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	2615.5	Standard polar	33892256
N-Acetylglutamine,4TBDMS,isomer #1	CC(=O)N([C@@H](CCC(=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)[Si](C)(C)C(C)(C)C	2862.1	Semi standard non polar	33892256
N-Acetylglutamine,4TBDMS,isomer #1	CC(=O)N([C@@H](CCC(=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)[Si](C)(C)C(C)(C)C	2789.6	Standard non polar	33892256
N-Acetylglutamine,4TBDMS,isomer #1	CC(=O)N([C@@H](CCC(=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)[Si](C)(C)C(C)(C)C	2538.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - N-Acetylglutamine GC-MS (4 TMS)	splash10-0udi-0792000000-c1b9c0a2e401b09330e3	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - N-Acetylglutamine GC-MS (3 TMS)	splash10-0pir-0940000000-273a364e0545e1c9660c	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - N-Acetylglutamine GC-MS (2 TMS)	splash10-0aor-1930000000-34e50f564c94c8d7eecf	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - N-Acetylglutamine EI-B (Non-derivatized)	splash10-0aor-1930000000-3417e5b740846b106d28	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - N-Acetylglutamine GC-EI-TOF (Non-derivatized)	splash10-0aos-1910000000-40c3f40b74f5a900e804	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylglutamine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9300000000-80e55e189a017060034b	2017-08-28	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylglutamine 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
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Acetylglutamine 30V, Positive-QTOF	splash10-001i-9000000000-1b58f8cf05ca3b4d60f2	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Acetylglutamine 10V, Positive-QTOF	splash10-001i-9000000000-d41b772a35f0471d4819	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Acetylglutamine 0V, Positive-QTOF	splash10-01qi-1920000000-03cc5cde7404917c4444	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Acetylglutamine 30V, Positive-QTOF	splash10-001l-9000000000-ae8475f16758af00d088	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Acetylglutamine 0V, Positive-QTOF	splash10-001r-2910000000-03b515be8545a7a4c32a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Acetylglutamine 10V, Positive-QTOF	splash10-001i-9810000000-4b20d607fd6455a3cc90	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 10V, Positive-QTOF	splash10-007d-0900000000-737775fcc86ca482b84f	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 20V, Positive-QTOF	splash10-0fmj-1900000000-f6b8dadcb62c0bd29b4b	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 40V, Positive-QTOF	splash10-0feb-9500000000-6dbd187babd525f439e0	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 10V, Negative-QTOF	splash10-000i-1900000000-5808e02fdf0b59805441	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 20V, Negative-QTOF	splash10-002g-3900000000-d91260dd274a3a963a02	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 40V, Negative-QTOF	splash10-0006-9100000000-db717deb0ee2153fbc4c	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 10V, Positive-QTOF	splash10-001s-0900000000-85c4ed15c285d61aaf77	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 20V, Positive-QTOF	splash10-001i-3900000000-a9b7bc3049cf72cfb344	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 40V, Positive-QTOF	splash10-001i-9000000000-1bfaeb4c12c7be0bca43	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 10V, Negative-QTOF	splash10-004i-0900000000-d1234af7f81ed8eb8936	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 20V, Negative-QTOF	splash10-0a6s-7900000000-d2a7387e0ea87eed3146	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglutamine 40V, Negative-QTOF	splash10-052f-9100000000-67fd7588646f70a13dbf	2021-09-22	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

Blood
Feces
Urine

Tissue Locations

Placenta

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	34436864	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	21058631	details
Urine	Detected and Quantified	18.557 +/- 7.493 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	Analysis of 30 no...	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	21389975	details
Urine	Detected and Quantified	4.12 +/- 0.22 umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	Analysis of 40 NI...	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	27015276	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Female	Epithelial ovarian cancer	23163809	details
Urine	Detected and Quantified	36.587 +/- 55.035 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	Analysis of 30 no...	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Autosomal dominant polycystic kidney disease (ADPKD)	21389975	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal adenoma	27510537	details

Associated Disorders and Diseases

Disease References

Colorectal cancer
Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ] Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Autosomal dominant polycystic kidney disease
Gronwald W, Klein MS, Zeltner R, Schulze BD, Reinhold SW, Deutschmann M, Immervoll AK, Boger CA, Banas B, Eckardt KU, Oefner PJ: Detection of autosomal dominant polycystic kidney disease by NMR spectroscopic fingerprinting of urine. Kidney Int. 2011 Jun;79(11):1244-53. doi: 10.1038/ki.2011.30. Epub 2011 Mar 9. [PubMed:21389975 ]
Eosinophilic esophagitis
Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.

Associated OMIM IDs

114500 (Colorectal cancer)
601313 (Autosomal dominant polycystic kidney disease)
610247 (Eosinophilic esophagitis)

External Links

DrugBank ID

DB04167

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023808

KNApSAcK ID

Not Available

Chemspider ID

158492

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Aceglutamide

METLIN ID

Not Available

PubChem Compound

182230

PDB ID

Not Available

ChEBI ID

21553

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1597951

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Van Coster RN, Gerlo EA, Giardina TG, Engelke UF, Smet JE, De Praeter CM, Meersschaut VA, De Meirleir LJ, Seneca SH, Devreese B, Leroy JG, Herga S, Perrier JP, Wevers RA, Lissens W: Aminoacylase I deficiency: a novel inborn error of metabolism. Biochem Biophys Res Commun. 2005 Dec 23;338(3):1322-6. Epub 2005 Nov 2. [PubMed:16274666 ]
Sass JO, Mohr V, Olbrich H, Engelke U, Horvath J, Fliegauf M, Loges NT, Schweitzer-Krantz S, Moebus R, Weiler P, Kispert A, Superti-Furga A, Wevers RA, Omran H: Mutations in ACY1, the gene encoding aminoacylase 1, cause a novel inborn error of metabolism. Am J Hum Genet. 2006 Mar;78(3):401-9. Epub 2006 Jan 18. [PubMed:16465618 ]
Sugahara K, Zhang J, Kodama H: Liquid chromatographic-mass spectrometric analysis of N-acetylamino acids in human urine. J Chromatogr B Biomed Appl. 1994 Jul 1;657(1):15-21. [PubMed:7952062 ]
Magnusson I, Kihlberg R, Alvestrand A, Wernerman J, Ekman L, Wahren J: Utilization of intravenously administered N-acetyl-L-glutamine in humans. Metabolism. 1989 Aug;38(8 Suppl 1):82-8. [PubMed:2569664 ]
Bergana MM, Holton JD, Reyzer IL, Snowden MK, Baxter JH, Pound VL: NMR and MS analysis of decomposition compounds produced from N-acetyl-L-glutamine at low pH. J Agric Food Chem. 2000 Dec;48(12):6003-10. [PubMed:11312773 ]
Racine SX, Le Toumelin P, Adnet F, Cohen Y, Cupa M, Hantz E, Le Moyec L: N-acetyl functions and acetate detected by nuclear magnetic resonance spectroscopy of urine to detect renal dysfunction following aminoglycoside and/or glycopeptide antibiotic therapy. Nephron Physiol. 2004;97(4):p53-7. [PubMed:15331932 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
Tanaka H, Sirich TL, Plummer NS, Weaver DS, Meyer TW: An Enlarged Profile of Uremic Solutes. PLoS One. 2015 Aug 28;10(8):e0135657. doi: 10.1371/journal.pone.0135657. eCollection 2015. [PubMed:26317986 ]
Van Damme P, Hole K, Pimenta-Marques A, Helsens K, Vandekerckhove J, Martinho RG, Gevaert K, Arnesen T: NatF contributes to an evolutionary shift in protein N-terminal acetylation and is important for normal chromosome segregation. PLoS Genet. 2011 Jul;7(7):e1002169. doi: 10.1371/journal.pgen.1002169. Epub 2011 Jul 7. [PubMed:21750686 ]
Ree R, Varland S, Arnesen T: Spotlight on protein N-terminal acetylation. Exp Mol Med. 2018 Jul 27;50(7):1-13. doi: 10.1038/s12276-018-0116-z. [PubMed:30054468 ]
Toyohara T, Akiyama Y, Suzuki T, Takeuchi Y, Mishima E, Tanemoto M, Momose A, Toki N, Sato H, Nakayama M, Hozawa A, Tsuji I, Ito S, Soga T, Abe T: Metabolomic profiling of uremic solutes in CKD patients. Hypertens Res. 2010 Sep;33(9):944-52. doi: 10.1038/hr.2010.113. Epub 2010 Jul 8. [PubMed:20613759 ]
Vanholder R, Baurmeister U, Brunet P, Cohen G, Glorieux G, Jankowski J: A bench to bedside view of uremic toxins. J Am Soc Nephrol. 2008 May;19(5):863-70. doi: 10.1681/ASN.2007121377. Epub 2008 Feb 20. [PubMed:18287557 ]

Enzymes

Enzyme Details

1. Aminoacylase-1

General function:: Involved in metallopeptidase activity
Specific function:: Involved in the hydrolysis of N-acylated or N-acetylated amino acids (except L-aspartate).
Gene Name:: ACY1
Uniprot ID:: Q03154
Molecular weight:: 45884.705

Showing metabocard for N-Acetylglutamine (HMDB0006029)

MOL for HMDB0006029 (N-Acetylglutamine)

3D MOL for HMDB0006029 (N-Acetylglutamine)

3D SDF for HMDB0006029 (N-Acetylglutamine)

3D-SDF for HMDB0006029 (N-Acetylglutamine)

PDB for HMDB0006029 (N-Acetylglutamine)

3D PDB for HMDB0006029 (N-Acetylglutamine)

SMILES for HMDB0006029 (N-Acetylglutamine)

INCHI for HMDB0006029 (N-Acetylglutamine)

Structure for HMDB0006029 (N-Acetylglutamine)

3D Structure for HMDB0006029 (N-Acetylglutamine)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes