Chemical Components in the PDB

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EBQ : Summary

Code

EBQ

One-letter code

X

Molecule name

(3S)-3-hydroxybutyl alpha-D-glucopyranoside

Synonyms

(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol
reacted 3R,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE
(3S)-3-hydroxybutyl alpha-D-glucoside
(3S)-3-hydroxybutyl D-glucoside
(3S)-3-hydroxybutyl glucoside

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol

Formula

C10 H20 O7

Formal charge

0

Molecular weight

252.262 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 CC(CCOC1C(C(C(C(O1)CO)O)O)O)O
Canonical SMILES CACTVS 3.385 C[C@H](O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

IUPAC InChI

InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6+,7+,8-,9+,10-/m0/s1

IUPAC InChI key

IQTXPPTUXXJFDH-DLXYEPTOSA-N
EBQ

wwPDB Information

Atom count

37 (17 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

GLC

Defined at

2010-06-04

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned