Chemical Components in the PDB

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TK8 : Summary

Code

TK8

One-letter code

X

Molecule name

D-xylonic acid

Synonyms

(2~{R},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentanoic acid
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoic acid
xylonic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentanoic acid

Formula

C5 H10 O6

Formal charge

0

Molecular weight

166.129 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[CH](O)[CH](O)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(C(C(C(C(=O)O)O)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O

IUPAC InChI

InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m1/s1

IUPAC InChI key

QXKAIJAYHKCRRA-FLRLBIABSA-N
TK8

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-12-23

Last modified at

2021-04-09

Status

Released

Obsoleted

Not Assigned