Chemical Components in the PDB

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GAD : Summary

Code

GAD

One-letter code

X

Molecule name

2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid
OpenEye OEToolkits 1.5.0 (4S,5S)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

Formula

C6 H8 O5

Formal charge

0

Molecular weight

160.125 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C=1OCC(O)C(O)C=1
SMILES CACTVS 3.341 O[CH]1COC(=C[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(C=C(O1)C(=O)O)O)O
Canonical SMILES CACTVS 3.341 O[C@H]1COC(=C[C@@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O

IUPAC InChI

InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1

IUPAC InChI key

GQECVRZDTXJRPX-IMJSIDKUSA-N
GAD

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2004-01-06

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned