PRD_900113

4beta-beta-galactobiose

Created:	2020-05-08
Last modified:	2020-07-29

PRD_900113 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1UR4.

Find Related PDB Entries
8 entries where PRD_900113 is present

Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	10
Bond Count	46
Aromatic Bond Count	0

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Chemical Component Summary
Name	4beta-beta-galactobiose
Systematic Name (OpenEye OEToolkits)	(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-trio l
Formula	C₁₂ H₂₂ O₁₁
Molecular Weight	342.296
Type	SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
SMILES	CACTVS	3.341	OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChI	InChI	1.03	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9- ,10+,11-,12+/m1/s1
InChIKey	InChI	1.03	GUBGYTABKSRVRQ-WWZHPTPQSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02743
Name	beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose
Groups	experimental
Synonyms	beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose β-D-galactopyranosyl-(1→4)-β-D-galactopyranose 4-O-β-D-galactopyranosyl-β-D-galactopyranose β-D-Galp-(1→4)-β-D-Galp Galactobiose
Categories	Carbohydrates Oligosaccharides Polysaccharides

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Arabinogalactan endo-beta-1,4-galactanase	MKNVLAVFVVLIFVLGAFGTSGPAEAARDSGTAKSGLYVEKVSGLRKDFI...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682