Chemical Components in the PDB

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GU2 : Summary

Code

GU2

One-letter code

X

Molecule name

2,3-di-O-methyl-alpha-L-idopyranuronic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 2,3-di-O-methyl-alpha-L-idopyranuronic acid
OpenEye OEToolkits 1.5.0 (2R,3S,4S,5R,6R)-3,6-dihydroxy-4,5-dimethoxy-oxane-2-carboxylic acid

Formula

C8 H14 O7

Formal charge

0

Molecular weight

222.193 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1OC(O)C(OC)C(OC)C1O
SMILES CACTVS 3.341 CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 COC1C(C(OC(C1OC)O)C(=O)O)O
Canonical SMILES CACTVS 3.341 CO[C@H]1[C@H](O)O[C@H]([C@@H](O)[C@@H]1OC)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O

IUPAC InChI

InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3?,4-,5+,6+,8+/m0/s1

IUPAC InChI key

YEGNNGDFCAGXPA-OHZVEFKRSA-N
GU2

wwPDB Information

Atom count

29 (15 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide, alpha linking

Type code

ATOMS

Is modified

Yes

Standard parent

Z0F

Defined at

2004-06-22

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned