ABE

alpha-D-Abequopyranose

Created:	1999-07-08
Last modified:	2020-07-17

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1 entries where ABE is found as a standalone ligand6 entries where ABE is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	4
Bond Count	22
Aromatic Bond Count	0

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Chemical Component Summary
Name	alpha-D-Abequopyranose
Synonyms	alpha-D-Abequose; 3,6-dideoxy-alpha-D-xylo-hexopyranose; 3,6-dideoxy-alpha-D-gulopyranose; 3,6-dideoxy-alpha-D-galactopyranose; 3-deoxy-alpha-D-fucopyranose; D-Abequose; Abequose
Systematic Name (OpenEye OEToolkits)	(2S,3R,5R,6R)-6-methyloxane-2,3,5-triol
Formula	C₆ H₁₂ O₄
Molecular Weight	148.157
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(OC(O)C(O)C1)C
SMILES	CACTVS	3.341	C[CH]1O[CH](O)[CH](O)C[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CC1C(CC(C(O1)O)O)O
Canonical SMILES	CACTVS	3.341	C[C@H]1O[C@H](O)[C@H](O)C[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
InChIKey	InChI	1.03	KYPWIZMAJMNPMJ-KAZBKCHUSA-N

Drug Info: DrugBank

DrugBank ID	DB02590
Name	Abequose
Groups	experimental
Synonyms	alpha-abequopyranose Abequose 3,6-dideoxy-α-D-xylo-hexopyranose α-abequopyranose
Categories	Carbohydrates Monosaccharides
CAS number	56816-60-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Bifunctional tail protein	MTDITANVVVSNPRPIFTESRSFKAVANGKIYIGQIDTDPVNPANQIPVY...	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