2DG

2-deoxy-alpha-D-galactopyranose

Created:	2001-10-02
Last modified:	2024-09-27

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5 entries where 2DG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	4
Bond Count	23
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-deoxy-alpha-D-galactopyranose
Synonyms	2-deoxy-alpha-D-lyxo-hexopyranose; 2-deoxy-alpha-D-galactose; 2-deoxy-D-galactose; 2-deoxy-galactose
Systematic Name (OpenEye OEToolkits)	(2S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
Formula	C₆ H₁₂ O₅
Molecular Weight	164.156
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(OC(O)CC1O)CO
SMILES	CACTVS	3.341	OC[CH]1O[CH](O)C[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(C(OC1O)CO)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H]1O[C@H](O)C[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O
InChI	InChI	1.03	InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKey	InChI	1.03	PMMURAAUARKVCB-ARQDHWQXSA-N

Drug Info: DrugBank

DrugBank ID	DB04382
Name	2-Deoxy-alpha-D-galactopyranose
Groups	experimental
Synonyms	2-Deoxy-α-D-lyxo-hexopyranose 2-Deoxy-alpha-D-galactopyranose 2-deoxy-beta-D-galactose 2-Deoxy-alpha-D-lyxo-hexopyranose
CAS number	14215-77-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-galactosidase	MTMITDSLAVVLQRRDWENPGVTQLNRLAAHPPFASWRNSEEARTDRPSQ...	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