PRD_900040

2-deoxy-2-fluoro-beta-cellotriose

PRD_900040 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1H11.

Find entries where PRD_900040 is present

Chemical Component Summary
Name	2-deoxy-2-fluoro-beta-cellotriose
Identifiers	(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4S,5R,6S)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihy droxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Formula	C₁₈ H₃₁ F O₁₅
Molecular Weight	506.428
Type	SACCHARIDE
Isomeric SMILES	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[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)F)O)CO )CO)O)O)O)O
InChI	InChI=1S/C18H31FO15/c19-7-9(24)14(5(2-21)30-16(7)29)33-18-13(28)11(26)15(6(3-22)32-18)34-17-12(27)10(25)8(23)4(1-20)31- 17/h4-18,20-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1
InChIKey	BZNXZJAUEMJQJB-QSCMNUSVSA-N
Composition	Polymer Sequences: G2F-BGC-BGC
BIRD class	SUBSTRATE ANALOG
Represented As	BRANCHED
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	15
Bond Count	67
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB01633 ?
Name	Deoxy-2-fluoro-beta-D-cellotrioside
Groups	investigational experimental
Synonyms	Deoxy-2-fluoro-beta-D-cellotrioside β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-2-deoxy-2-fluoro-α-D-glucopyranose

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Endoglucanase 5A	MKKITTIFVVLLMTVALFSIGNTTAADNDSVVEEHGQLSISNGELVNERG...	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