N-(3,5-Dideoxy-3-methyl-D-xylonoyl)-2-methyl-L-serine

Details

• Internal ID: a2fb2926-ee5a-4f30-8fe6-710cfff6c3f0
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids > N-acyl-L-alpha-amino acids
• IUPAC Name: (2S)-2-[[(2R,3S,4R)-2,4-dihydroxy-3-methylpentanoyl]amino]-3-hydroxy-2-methylpropanoic acid
• InChI: InChI=1S/C10H19NO6/c1-5(6(2)13)7(14)8(15)11-10(3,4-12)9(16)17/h5-7,12-14H,4H2,1-3H3,(H,11,15)(H,16,17)/t5-,6+,7+,10-/m0/s1
• InChI Key: GLESHRYLRAOJPS-DHCFDGJBSA-N
• Popularity: 21 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₉NO₆
• Molecular Weight: 249.26 g/mol
• Exact Mass: 249.12123733 g/mol
• Topological Polar Surface Area (TPSA): 127.00 Ų
• XlogP: -1.40

Synonyms

• SCHEMBL4125633
• DTXSID601213565
• AKOS040746720

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
CHEMBL2581	P07339	Cathepsin D	93.85%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.73%	96.09%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	91.72%	100.00%
CHEMBL4040	P28482	MAP kinase ERK2	91.51%	83.82%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.52%	97.29%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.34%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.13%	85.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.58%	99.17%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	83.34%	92.29%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.51%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9881406
• LOTUS: LTS0205908
• wikiData: Q105010863