Chemical Components in the PDB

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1CF : Summary

Code

1CF

One-letter code

X

Molecule name

2-hydroxyethyl 6-deoxy-beta-L-galactopyranoside

Systematic names

ProgramVersionName
ACDLabs 12.01 2-hydroxyethyl 6-deoxy-beta-L-galactopyranoside
OpenEye OEToolkits 1.7.6 (2S,3S,4R,5S,6S)-2-(2-hydroxyethyloxy)-6-methyl-oxane-3,4,5-triol

Formula

C8 H16 O6

Formal charge

0

Molecular weight

208.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O(CCO)C1OC(C(O)C(O)C1O)C
SMILES CACTVS 3.370 C[CH]1O[CH](OCCO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 CC1C(C(C(C(O1)OCCO)O)O)O
Canonical SMILES CACTVS 3.370 C[C@@H]1O[C@H](OCCO)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O

IUPAC InChI

InChI=1S/C8H16O6/c1-4-5(10)6(11)7(12)8(14-4)13-3-2-9/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m0/s1

IUPAC InChI key

WEKZOSZDHREWIU-SHGPDSBTSA-N
1CF

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-04

Last modified at

2014-01-24

Status

Released

Obsoleted

Not Assigned