Glutamate (CED0000417)

Record Information

Version

1.0

Creation Date

2016-05-25 02:53:36 UTC

Update Date

2026-03-27 01:58:35 UTC

Accession Number

CHEM021053

Identification

Common Name

Glutamate

Class

Small Molecule

Description

Glutamate is an organic compound with the chemical formula C5H9NO4 and an average molecular weight of 147.13 g/mol. Glutamate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is further classified under the superclass of organic acids and derivatives. This compound has been identified in or released from four recorded sources. These include materials used in building and construction, specifically ceilings and floors, as well as electrical and electronic equipment, specifically antennas and adjustable resistors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Aminoglutaric acid	ChEBI
DL-Glutamic acid	ChEBI
DL-Glutaminic acid	ChEBI
E	ChEBI
Glu	ChEBI
Glutamate	ChEBI
Glutaminic acid	ChEBI
Glutaminsaeure	ChEBI
2-Aminoglutarate	Generator
DL-Glutaminate	Generator
Glutamic acid	Generator
Glutaminate	Generator
D-Glutamate	HMDB
L Glutamate	HMDB
L Glutamic acid	HMDB
D Glutamate	HMDB
Glutamate, potassium	HMDB
Glutamic acid, (D)-isomer	HMDB
L-Glutamate	HMDB
L-Glutamic acid	HMDB
Aluminum L glutamate	HMDB
Aluminum L-glutamate	HMDB
L-Glutamate, aluminum	HMDB
Potassium glutamate	HMDB
DL-Glutamate	Generator

Chemical Formula

C₅H₉NO₄

Average Molecular Mass

147.129 g/mol

Monoisotopic Mass

147.053 g/mol

CAS Registry Number

6899-05-4

IUPAC Name

2-aminopentanedioic acid

Traditional Name

glutaminsaeure

SMILES

NC(CCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)

InChI Key

WHUUTDBJXJRKMK-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Glutamic acid and derivatives

Alternative Parents

Substituents

Glutamic acid or derivatives
Alpha-amino acid
Amino fatty acid
Dicarboxylic acid or derivatives
Fatty acid
Fatty acyl
Amino acid
Carboxylic acid
Organic oxide
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Amine
Organic nitrogen compound
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

alpha-amino acid (CHEBI:18237 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	80.6 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-3.2	ChemAxon
logS	-0.26	ALOGPS
pKa (Strongest Acidic)	1.88	ChemAxon
pKa (Strongest Basic)	9.54	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	100.62 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	31.29 m³·mol⁻¹	ChemAxon
Polarizability	13.49 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-002b-0940000000-ef4582bb9263bdfba6cd	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-05fr-1900000000-ffc4d661283cf00cdeb8	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-002b-0940000000-ef4582bb9263bdfba6cd	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-05fr-1900000000-ffc4d661283cf00cdeb8	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0k9x-9300000000-a43e0122a45b9abf09d6	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00di-9520000000-b2bc58c49d6c26b455c3	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ufs-0900000000-1c5ddec3198a6dd6f0f5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0900000000-c23ea6e031c1e4930944	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-dfbb29e9a331e253d85f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-3900000000-e514d6585bdf9bc9e803	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9300000000-f36781f2872f0c748fcf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9000000000-f8b643434e08f4b8477a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0910000000-0cae73de7aafccd2b88c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001j-0900000000-4540874a0e2bf8f3dd2d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-cbb82b980b4695c335e3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-3900000000-a21b10181a571a52903d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-5900000000-7ac8323be081a359f516	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9510000000-c02c74d8cf00a9aafc84	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9100000000-2ce1c558d28c50a3e6c7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000t-0920000000-fc4e9b818816049b3eac	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-1900000000-c619c9c0aa5fa4776a9a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9300000000-f6470a0cfd89aa7eb825	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9700000000-b65a3cfe30f5568af901	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0930000000-dac6a530acd2a68c237d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ue9-0900000000-64bc57b5310cb336bebe	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0900000000-aff44a88212d1f0e59f6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-8900000000-765470727b56f0dbfc25	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0900000000-aff44a88212d1f0e59f6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-5900000000-c2921195cac50d7fe811	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9300000000-2da59aee192c522c3559	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ue9-0900000000-945a3f09b24d4baef7c4	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-70ad11cb69b490bad4a0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ufs-0900000000-ec4467bde58c9993d65d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0900000000-8e5b750f68f873f385f9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9000000000-b8633a98f059c8b496dc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9300000000-f36781f2872f0c748fcf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9700000000-db0b13efbd3e69a0b06d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-1900000000-21d185f82c56a3d771f4	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9000000000-f8b643434e08f4b8477a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-3900000000-e514d6585bdf9bc9e803	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9510000000-d8a0b29dbb11809d17a3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9100000000-338f8aa1a474ba65b2ef	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-dfbb29e9a331e253d85f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9000000000-a45f8a7e6d579764a6ae	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-2fa038d90137c869c819	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-3900000000-e51d6abf8a27374c4b18	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9300000000-e3fe1176b5a691147bd7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001j-0900000000-938c7149c91e65af9211	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-3900000000-b944a598dce0090b5235	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-3900000000-58248bb2a0c7ddc905cf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0zgi-9600000000-076b628a6858a60a475f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-bd3823a5fab8a2d9b62c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-1900000000-11233b5887638266e512	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fba-4900000000-1e8ea62e3fbd8467396f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0abc-9100000000-6c956e122b59de69a472	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f89-4900000000-c467fa409affedc9ab85	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9100000000-ddda6500978ea1670dcf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-4c6639c8639f077b57a0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0059-4900000000-503f6a47bc72662de09c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ugi-3900000000-ec06b29308ff068bf7a2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-e06c31345e8a86e71de1	Not Available	View Spectrum
MS	MS Spectrum	splash10-001i-9000000000-a9f003887aee86656dc9	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
5184.0	Log mg/kg	[2900:9200]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
490		Personal care & cosmetics	Not Available
495	Ceilings	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	0.0778492
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	0.233548
Click to view 3D structure	Metabotropic glutamate receptor 6	P35349	Rattus norvegicus	Predicted (SEA)	0.155698
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Metabotropic glutamate receptor 3	P31422	Rattus norvegicus	Predicted (SEA)	0.155698
Click to view 3D structure	Metabotropic glutamate receptor 1	P23385	Rattus norvegicus	Predicted (SEA)	0.544945
Click to view 3D structure	Metabotropic glutamate receptor 4	P31423	Rattus norvegicus	Predicted (SEA)	0.467095
Click to view 3D structure	Betaine--homocysteine S-methyltransferase 1	Q93088	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	0.389246
Click to view 3D structure	Metabotropic glutamate receptor 4	Q14833	Humans	Predicted (SEA)	1.32344
Click to view 3D structure	Metabotropic glutamate receptor 8	P70579	Rattus norvegicus	Predicted (SEA)	0.311397
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P22756	Rattus norvegicus	Predicted (SEA)	0.778492
Click to view 3D structure	Glutamate receptor ionotropic, kainate 3	P42264	Rattus norvegicus	Predicted (SEA)	0.700643
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	P42260	Rattus norvegicus	Predicted (SEA)	0.311397
Click to view 3D structure	Metabotropic glutamate receptor 5	P31424	Rattus norvegicus	Predicted (SEA)	0.778492
Click to view 3D structure	Metabotropic glutamate receptor 8	O00222	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	0.311397
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	0.155698
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	1.47914
Click to view 3D structure	Metabotropic glutamate receptor 1	Q13255	Humans	Predicted (SEA)	1.63483
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	Q13002	Humans	Predicted (SEA)	0.389246
Click to view 3D structure	Glutamate receptor 4	P48058	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Glutamate receptor 1	P19490	Rattus norvegicus	Predicted (SEA)	1.16774
Click to view 3D structure	Glutamate receptor 2	P42262	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Arginase	Q8I384	Plasmodium falciparum	Predicted (SEA)	0.467095