gamma-Glu-Gly

Details

• Internal ID: 9e1586e7-2495-4b56-8a9f-e5367fbd1c80
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
• IUPAC Name: (2S)-2-amino-5-(carboxymethylamino)-5-oxopentanoic acid
• InChI: InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
• InChI Key: ACIJGUBIMXQCMF-BYPYZUCNSA-N
• Popularity: 114 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₂N₂O₅
• Molecular Weight: 204.18 g/mol
• Exact Mass: 204.07462149 g/mol
• Topological Polar Surface Area (TPSA): 130.00 Ų
• XlogP: -4.30
• Atomic LogP (AlogP): -1.62
• H-Bond Acceptor: 4
• H-Bond Donor: 4
• Rotatable Bonds: 6

Synonyms

• gamma-Glu-Gly
• L-gamma-glutamylglycine
• gamma-Glutamylglycine
• (2S)-2-amino-5-(carboxymethylamino)-5-oxopentanoic acid
• 3KY8AC5IUW
• gamma-Gln-gly
• CHEBI:73845
• Tau-glutamylglycine
• NSC-334201
• RefChem:922041
• H-gamma-Glu-Gly-OH
• 5-L-Glutamylglycine
• H-Glu(Gly-OH)-OH
• gamma-L-glutamyl glycine
• gamma-L-Glutamyl-glycine
• MFCD00037216
• (2S)-2-amino-4-[(carboxymethyl)carbamoyl]butanoic acid
• H-|A-Glu-Gly-OH
• Glycine, N-D-gamma-glutamyl-
• gamma-L-Glu-Gly
• L-gamma-Glu-Gly
• gamma-Glutamyl glycine
• 5-L-Glutamyl-glycine
• H--Glu-Gly-OH
• ??-Glu-Gly
• H-|_-Glu-Gly-OH
• L-I(3)-Glutamylglycine
• N-L-gamma-glutamylglycine
• N-L-gamma-glutamyl-Glycine
• (S)-2-Amino-5-((carboxymethyl)amino)-5-oxopentanoic acid
• orb1691372
• SCHEMBL1769055
• N5-(carboxymethyl)-L-glutamine
• DTXSID90986480
• L-.GAMMA.-GLUTAMYLGLYCINE
• HY-P3280
• AKOS030525460
• GLYCINE, L-.GAMMA.-GLUTAMYL-
• EBC-615971
• MS-23101
• GLUTAMINE, N-(CARBOXYMETHYL)-, L-
• CS-0197872
• Q27144166
• (2S)-2-amino-5-(carboxymethylamino)-5-oxo-pentanoic acid

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	-	0.6201	62.01%
Caco-2	-	0.9121	91.21%
Blood Brain Barrier	+	0.7500	75.00%
Human oral bioavailability	+	0.6571	65.71%
Subcellular localzation	Mitochondria	0.7623	76.23%
OATP2B1 inhibitior	-	0.8520	85.20%
OATP1B1 inhibitior	+	0.9671	96.71%
OATP1B3 inhibitior	+	0.9531	95.31%
MATE1 inhibitior	-	0.9800	98.00%
OCT2 inhibitior	-	0.9500	95.00%
BSEP inhibitior	-	0.9807	98.07%
P-glycoprotein inhibitior	-	0.9863	98.63%
P-glycoprotein substrate	-	0.9598	95.98%
CYP3A4 substrate	-	0.7239	72.39%
CYP2C9 substrate	-	0.6329	63.29%
CYP2D6 substrate	-	0.7783	77.83%
CYP3A4 inhibition	-	0.9183	91.83%
CYP2C9 inhibition	-	0.9660	96.60%
CYP2C19 inhibition	-	0.9581	95.81%
CYP2D6 inhibition	-	0.9587	95.87%
CYP1A2 inhibition	-	0.9641	96.41%
CYP2C8 inhibition	-	0.9841	98.41%
CYP inhibitory promiscuity	-	0.9950	99.50%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.8600	86.00%
Carcinogenicity (trinary)	Non-required	0.7072	70.72%
Eye corrosion	-	0.9901	99.01%
Eye irritation	-	0.9119	91.19%
Skin irritation	-	0.9055	90.55%
Skin corrosion	-	0.9570	95.70%
Ames mutagenesis	-	0.7500	75.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.8353	83.53%
Micronuclear	-	0.6000	60.00%
Hepatotoxicity	+	0.6149	61.49%
skin sensitisation	-	0.9605	96.05%
Respiratory toxicity	+	0.5333	53.33%
Reproductive toxicity	-	0.7182	71.82%
Mitochondrial toxicity	-	0.7375	73.75%
Nephrotoxicity	-	0.9090	90.90%
Acute Oral Toxicity (c)	III	0.5063	50.63%
Estrogen receptor binding	-	0.9112	91.12%
Androgen receptor binding	-	0.8961	89.61%
Thyroid receptor binding	-	0.8697	86.97%
Glucocorticoid receptor binding	-	0.7472	74.72%
Aromatase binding	-	0.8647	86.47%
PPAR gamma	-	0.8269	82.69%
Honey bee toxicity	-	0.9662	96.62%
Biodegradation	+	0.7250	72.50%
Crustacea aquatic toxicity	-	0.8400	84.00%
Fish aquatic toxicity	-	0.8179	81.79%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	98.11%	83.82%
CHEMBL221	P23219	Cyclooxygenase-1	96.06%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.96%	99.17%
CHEMBL2581	P07339	Cathepsin D	92.50%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.27%	96.09%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	88.80%	92.29%
CHEMBL236	P41143	Delta opioid receptor	87.63%	99.35%
CHEMBL1255126	O15151	Protein Mdm4	86.90%	90.20%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	86.32%	97.21%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	85.15%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.83%	91.11%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.44%	96.95%
CHEMBL233	P35372	Mu opioid receptor	81.85%	97.93%
CHEMBL340	P08684	Cytochrome P450 3A4	81.55%	91.19%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	80.46%	96.67%
CHEMBL2514	O95665	Neurotensin receptor 2	80.16%	100.00%

Plants that contains it

• Dietes bicolor

Cross-Links

• PubChem: 165527
• LOTUS: LTS0021842
• wikiData: Q27144166