Chemical Components in the PDB

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LFC : Summary

Code

LFC

One-letter code

X

Molecule name

6-DEOXY-L-GALACTONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 6-deoxy-L-galactonic acid
OpenEye OEToolkits 1.5.0 (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoic acid

Formula

C6 H12 O6

Formal charge

0

Molecular weight

180.156 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m0/s1

IUPAC InChI key

NBFWIISVIFCMDK-RSJOWCBRSA-N
LFC

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-08-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned