Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

3LR : Summary

Code

3LR

One-letter code

X

Molecule name

3,6-dideoxy-L-arabino-hexonic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 3,6-dideoxy-L-arabino-hexonic acid
OpenEye OEToolkits 1.5.0 (2R,4R,5S)-2,4,5-trihydroxyhexanoic acid

Formula

C6 H12 O5

Formal charge

0

Molecular weight

164.156 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H12O5/c1-3(7)4(8)2-5(9)6(10)11/h3-5,7-9H,2H2,1H3,(H,10,11)/t3-,4+,5+/m0/s1

IUPAC InChI key

RJZYGPZBSUBNEJ-VPENINKCSA-N
3LR

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2008-05-01

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned