Succinamopine

Details

• Internal ID: 1d3959de-2e4d-4808-9d2d-aaea150de243
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives
• IUPAC Name: (2R)-2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]pentanedioic acid
• SMILES (Canonical): C(CC(=O)O)C(C(=O)O)NC(CC(=O)N)C(=O)O
• SMILES (Isomeric): C(CC(=O)O)[C@H](C(=O)O)N[C@@H](CC(=O)N)C(=O)O
• InChI: InChI=1S/C9H14N2O7/c10-6(12)3-5(9(17)18)11-4(8(15)16)1-2-7(13)14/h4-5,11H,1-3H2,(H2,10,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5+/m1/s1
• InChI Key: HULCBRRKIWCSOF-UHNVWZDZSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₄N₂O₇
• Molecular Weight: 262.22 g/mol
• Exact Mass: 262.08010079 g/mol
• Topological Polar Surface Area (TPSA): 167.00 Ų
• XlogP: -4.50

Synonyms

• 88194-24-5
• (2R)-2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]pentanedioic acid
• DTXSID20236884
• D-Glutamic acid, N-(3-amino-1-carboxy-3-oxopropyl)-, (S)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL221	P23219	Cyclooxygenase-1	97.10%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.01%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	93.29%	83.82%
CHEMBL1255126	O15151	Protein Mdm4	92.29%	90.20%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.65%	99.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	88.03%	100.00%
CHEMBL2581	P07339	Cathepsin D	87.01%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.88%	91.11%
CHEMBL340	P08684	Cytochrome P450 3A4	83.49%	91.19%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.67%	93.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.39%	96.00%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	80.26%	96.00%

Plants that contains it

• Nicotiana tabacum

Cross-Links

• PubChem: 5487797
• LOTUS: LTS0169598
• wikiData: Q56000006