PRD_900027

thiodigalactoside

PRD_900027 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4OAA.

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Chemical Component Summary
Name	thiodigalactoside
Identifiers	(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxida nyl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
Formula	C₁₂ H₂₂ O₁₀ S
Molecular Weight	358.362
Type	SACCHARIDE
Isomeric SMILES	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI	InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9 -,10-,11+,12+/m1/s1
InChIKey	SYKYBMOFPMXDRQ-ZFDCCPEWSA-N
Composition	Polymer Sequences: GAL-YIO
BIRD class	SUBSTRATE ANALOG
Represented As	BRANCHED
Compound Details	n/a
Description	n/a

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

Drug Info: DrugBank

DrugBank ID	DB04396 ?
Name	Thiodigalactoside
Groups	experimental
Description	Thiodigalactoside is a solid. This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates. This medication is known to target galectin-1, heat-labile enterotoxin b chain, neurocan core protein, and lactose permease.
Synonyms	Thiodigalactoside
Categories	Carbohydrates Galactosides Glycosides Sulfur Compounds Thioglycosides
CAS number	51555-87-4

Drug Targets

Name	Target Sequence	Pharmacological Action
Heat-labile enterotoxin B chain	MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTE...	unknown
Lactose permease	MYYLKNTNFWMFGLFFFFYFFIMGAYFPFFPIWLHDINHISKSDTGIIFA...	unknown
Neurocan core protein	MGAPFVWALGLLMLQMLLFVAGEQGTQDITDASERGLHMQKLGSGSVQAA...	unknown
Galectin-1	MACGLVASNLNLKPGECLRVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRF...	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