2-Amino-5-hydroxyheptanedioic acid

Details

• Internal ID: e89e2078-bee6-4846-9102-51627004f88c
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: 2-amino-5-hydroxyheptanedioic acid
• SMILES (Canonical): C(CC(C(=O)O)N)C(CC(=O)O)O
• SMILES (Isomeric): C(CC(C(=O)O)N)C(CC(=O)O)O
• InChI: InChI=1S/C7H13NO5/c8-5(7(12)13)2-1-4(9)3-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)
• InChI Key: GQOZCDSIBMMJPA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₃NO₅
• Molecular Weight: 191.18 g/mol
• Exact Mass: 191.07937252 g/mol
• Topological Polar Surface Area (TPSA): 121.00 Ų
• XlogP: -3.80

Synonyms

There are no found synonyms.

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.37%	96.09%
CHEMBL236	P41143	Delta opioid receptor	91.09%	99.35%
CHEMBL4040	P28482	MAP kinase ERK2	88.05%	83.82%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.65%	99.17%
CHEMBL2581	P07339	Cathepsin D	86.91%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	85.06%	90.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	84.42%	100.00%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	83.86%	92.29%
CHEMBL1255126	O15151	Protein Mdm4	83.18%	90.20%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	82.33%	97.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.07%	96.95%

Plants that contains it

• Reseda luteola

Cross-Links

• PubChem: 162872338
• LOTUS: LTS0216366
• wikiData: Q105015498