Chemical Components in the PDB

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GCT : Summary

Code

GCT

One-letter code

X

Molecule name

2,6-anhydro-3-deoxy-L-xylo-hexonic acid

Synonyms

4,5-DIHYDROXY-TETRAHYDRO-PYRAN-2-CARBOXYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2,6-anhydro-3-deoxy-L-xylo-hexonic acid
OpenEye OEToolkits 1.5.0 (2S,4S,5S)-4,5-dihydroxyoxane-2-carboxylic acid

Formula

C6 H10 O5

Formal charge

0

Molecular weight

162.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1OCC(O)C(O)C1
SMILES CACTVS 3.341 O[CH]1CO[CH](C[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(COC1C(=O)O)O)O
Canonical SMILES CACTVS 3.341 O[C@H]1CO[C@@H](C[C@@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H]([C@H](CO[C@@H]1C(=O)O)O)O

IUPAC InChI

InChI=1S/C6H10O5/c7-3-1-5(6(9)10)11-2-4(3)8/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4-,5-/m0/s1

IUPAC InChI key

YRPRHLNMFWDGSL-YUPRTTJUSA-N
GCT

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Saccharide

Type description

D-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