Chemical Components in the PDB

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XUL : Summary

Code

XUL

One-letter code

X

Molecule name

D-XYLULOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-xylulose
OpenEye OEToolkits 1.5.0 (3S,4R)-1,3,4,5-tetrahydroxypentan-2-one

Formula

C5 H10 O5

Formal charge

0

Molecular weight

150.13 Da

SMILES

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

IUPAC InChI

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

IUPAC InChI key

ZAQJHHRNXZUBTE-WUJLRWPWSA-N
XUL

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

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned