Chemical Components in the PDB

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XLF : Summary

Code

XLF

One-letter code

X

Molecule name

beta-D-xylulofuranose

Systematic names

ProgramVersionName
ACDLabs 10.04 beta-D-xylulofuranose
OpenEye OEToolkits 1.5.0 (2R,3S,4R)-2-(hydroxymethyl)oxolane-2,3,4-triol

Formula

C5 H10 O5

Formal charge

0

Molecular weight

150.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCC1(O)OCC(O)C1O
SMILES CACTVS 3.341 OC[C]1(O)OC[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(C(O1)(CO)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@@]1(O)OC[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H]([C@@H]([C@](O1)(CO)O)O)O

IUPAC InChI

InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5-/m1/s1

IUPAC InChI key

LQXVFWRQNMEDEE-MROZADKFSA-N
XLF

wwPDB Information

Atom count

20 (10 without Hydrogen)

Polymer type

Saccharide

Type description

D-SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2008-04-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned