Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

D8T : Summary

Code

D8T

One-letter code

X

Molecule name

D-arabinonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 D-arabinonic acid
OpenEye OEToolkits 1.7.2 (2S,3R,4R)-2,3,4,5-tetrakis(oxidanyl)pentanoic acid

Formula

C5 H10 O6

Formal charge

0

Molecular weight

166.129 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)C(O)C(O)CO
SMILES CACTVS 3.370 OC[CH](O)[CH](O)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 C(C(C(C(C(=O)O)O)O)O)O
Canonical SMILES CACTVS 3.370 OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 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-JJYYJPOSSA-N
D8T

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

2011-06-07

Last modified at

2012-06-01

Status

Released

Obsoleted

Not Assigned