Chemical Components in the PDB

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XIL : Summary

Code

XIL

One-letter code

X

Molecule name

(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside

Synonyms

3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-PIPERIDIN-2-ONE
(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xyloside
(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl D-xyloside
(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl xyloside

Systematic names

ProgramVersionName
ACDLabs 10.04 (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside
OpenEye OEToolkits 1.5.0 (3S,4R)-3-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-piperidin-2-one

Formula

C10 H17 N O7

Formal charge

0

Molecular weight

263.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2NCCC(OC1OCC(O)C(O)C1O)C2O
SMILES CACTVS 3.341 O[CH]1CO[CH](O[CH]2CCNC(=O)[CH]2O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1CNC(=O)C(C1OC2C(C(C(CO2)O)O)O)O
Canonical SMILES CACTVS 3.341 O[C@@H]1CO[C@@H](O[C@@H]2CCNC(=O)[C@H]2O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O

IUPAC InChI

InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5-,6+,7+,8-,10+/m1/s1

IUPAC InChI key

BHZMHPRIYUPDCT-BQWZOORQSA-N
XIL

wwPDB Information

Atom count

35 (18 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

XYP

Defined at

2002-10-28

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned