Chemical Components in the PDB

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XYL : Summary

Code

XYL

One-letter code

X

Molecule name

Xylitol

Synonyms

D-Xylitol

Systematic names

ProgramVersionName
ACDLabs 10.04 D-xylitol
OpenEye OEToolkits 1.5.0 (2S,4R)-pentane-1,2,3,4,5-pentol

Formula

C5 H12 O5

Formal charge

0

Molecular weight

152.146 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC(CO)C(O)C(O)CO
SMILES CACTVS 3.341 OC[CH](O)[CH](O)[CH](O)CO
SMILES OpenEye OEToolkits 1.5.0 C(C(C(C(CO)O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@H](O)[C@@H](O)[C@H](O)CO
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C([C@@H](CO)O)O)O)O

IUPAC InChI

InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+

IUPAC InChI key

HEBKCHPVOIAQTA-SCDXWVJYSA-N
XYL

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned