Molecule

Acetylglutamic Acid

AlkaPlorer ID: AK011730

Synonym: None

IUPAC Name: (2S)-2-acetamidopentanedioic acid

Structure

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

InChI: InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1

InChIKey: RFMMMVDNIPUKGG-YFKPBYRVSA-N

Reference

Metabolic Profiling of <i>Escherichia coli</i>-Based Cell-Free Expression Systems for Process Optimization

PubChem CID: 70914

CAS: 1188-37-0

LOTUS: LTS0165325

NPASS: NPC318886

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Vitis vinifera	Vitis	Vitaceae	Vitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rattus norvegicus	Rattus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Saccharomyces cerevisiae	Saccharomyces	Saccharomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 189.167

TPSA？: 107.19

MolLogP？: 0.2808

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Histone-lysine N-methyltransferase MLL	Potency	28183.8	nM	None
Homo sapiens	Lysine-specific demethylase 4C	IC50	2070000.0	nM	10.1021/acs.jmedchem.5b01527
Homo sapiens	Olfactory receptor 51E2	EC50	0.23	nM	None
Homo sapiens	Olfactory receptor 51E2	Ratio	0.879	None	None
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Inhibition	59.95	%	10.1124/mol.112.084152
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Inhibition	77.8	%	10.1124/mol.112.084152
None	Unchecked	Ac50	3.548	uM	None
None	Unchecked	Ac50	39.81	uM	None
None	Unchecked	AC50	3548.1	nM	None
None	Unchecked	AC50	39810.7	nM	None

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002046	CC(=O)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	MNXR182571
AKRT002602	CC(=O)N[C@@H](CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	enzymemap_68066
AKRT002603	CC(=O)N[C@@H](CCC(=O)O)C(=O)O.NCCCC(N)C(=O)O>>CC(=O)N[C@@H](CCCN)C(=O)O	MNXR179136
AKRT002604	CC(=O)N[C@@H](CCC(=O)O)C(=O)O.NCCCC(N)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O	MNXR179136
AKRT002605	CC(=O)N[C@@H](CCC(=O)O)C(=O)O.NCCC[C@H](N)C(=O)O>>CC(=O)N[C@@H](CCCN)C(=O)O	R02282
AKRT002606	CC(=O)N[C@@H](CCC(=O)O)C(=O)O.NCCC[C@H](N)C(=O)O>>CC(=O)N[C@@H](CCCN)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O	None
AKRT002607	CC(=O)N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT002608	CC(=O)N[C@@H](CCC(=O)O)C(=O)O>>CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O	ACETYLGLUTKIN-RXN
AKRT002609	CC(=O)N[C@@H](CCC(=O)O)C(=O)O>>CC(=O)O	enzymemap_66521
AKRT002610	CC(=O)N[C@@H](CCC(=O)O)C(=O)O>>CC(=O)O.N[C@@H](CCC(=O)O)C(=O)O	None
AKRT002611	CC(=O)N[C@@H](CCC(=O)O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O	R02282
AKRT002615	CC(=O)N[C@@H](CCC(N)=O)C(=O)O>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	enzymemap_77502
AKRT002640	CC(=O)N[C@@H](CCCN)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	GLUTAMATE-N-ACETYLTRANSFERASE-RXN
AKRT004078	CC(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	MNXR133721
AKRT004433	CC(=O)[32S].N[C@@H](CCC(=O)O)C(=O)O>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	None
AKRT004689	CC(=O)[CoA].N[C@@H](CCC(=O)O)C(=O)O>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	N-ACETYLTRANSFER-RXN
AKRT007097	CCC(=O)C(=O)O.N[C@@H](CO)C(=O)O>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	MNXR182568
AKRT012829	C[C@@H](O)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	MNXR182569
AKRT012879	C[C@@H](O)[C@H](N)C(=O)O.C[C@H](O)C(=O)O>>CC(=O)N[C@@H](CCC(=O)O)C(=O)O	MNXR182570