Chemical Components in the PDB

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LGC : Summary

Code

LGC

One-letter code

X

Molecule name

D-glucono-1,5-lactone

Synonyms

(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE
GLUCONOLACTONE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)
OpenEye OEToolkits 1.5.0 (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one

Formula

C6 H10 O6

Formal charge

0

Molecular weight

178.14 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1OC(CO)C(O)C(O)C1O
SMILES CACTVS 3.341 OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(=O)O1)O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O

IUPAC InChI

InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1

IUPAC InChI key

PHOQVHQSTUBQQK-SQOUGZDYSA-N
LGC

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-25

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned