GlcA(b1-2)b-Man

Details

• Internal ID: 3a245614-edd2-46b9-9583-ebf3c42e4533
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glucuronides > O-glucuronides
• IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid
• SMILES (Canonical): C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O)O
• InChI: InChI=1S/C12H20O12/c13-1-2-3(14)5(16)9(11(21)22-2)24-12-7(18)4(15)6(17)8(23-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)/t2-,3-,4+,5+,6+,7-,8+,9+,11-,12+/m1/s1
• InChI Key: BWAUGERKDLCYMO-NXBBRQJPSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₀O₁₂
• Molecular Weight: 356.28 g/mol
• Exact Mass: 356.09547607 g/mol
• Topological Polar Surface Area (TPSA): 207.00 Ų
• XlogP: -3.90

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.84%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.63%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.46%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	84.15%	83.82%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.36%	86.92%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163075458
• LOTUS: LTS0054179
• wikiData: Q104947088