4-O-beta-D-Glucopyranuronosyl-L-fucose

Details

• Internal ID: 16559ea2-a929-4998-9273-07c748e824a0
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glucuronides > O-glucuronides
• IUPAC Name: 3,4,5-trihydroxy-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxane-2-carboxylic acid
• SMILES (Canonical): CC1C(C(C(C(O1)O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O
• SMILES (Isomeric): CC1C(C(C(C(O1)O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O
• InChI: InChI=1S/C12H20O11/c1-2-8(5(15)6(16)11(20)21-2)22-12-7(17)3(13)4(14)9(23-12)10(18)19/h2-9,11-17,20H,1H3,(H,18,19)
• InChI Key: AVNZRZCQPHKKAQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₀O₁₁
• Molecular Weight: 340.28 g/mol
• Exact Mass: 340.10056145 g/mol
• Topological Polar Surface Area (TPSA): 186.00 Ų
• XlogP: -3.40

Synonyms

• CHEBI:173172
• 3,4,5-trihydroxy-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxane-2-carboxylic acid

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
CHEMBL1951	P21397	Monoamine oxidase A	85.06%	91.49%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.99%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.60%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.03%	91.11%

Plants that contains it

• Tussilago farfara

Cross-Links

• PubChem: 131752745
• LOTUS: LTS0111492
• wikiData: Q104919669