Chemical Components in the PDB

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SGA : Summary

Code

SGA

One-letter code

X

Molecule name

3-O-sulfo-beta-D-galactopyranose

Synonyms

O3-SULFONYLGALACTOSE
3-O-sulfo-beta-D-galactose
3-O-sulfo-D-galactose
3-O-sulfo-galactose

Systematic names

ProgramVersionName
ACDLabs 10.04 3-O-sulfo-beta-D-galactopyranose
OpenEye OEToolkits 1.5.0 [(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Formula

C6 H12 O9 S

Formal charge

0

Molecular weight

260.219 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(OC1C(O)C(OC(O)C1O)CO)O
SMILES CACTVS 3.341 OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[S](O)(=O)=O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O)O

IUPAC InChI

InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3+,4-,5+,6-/m1/s1

IUPAC InChI key

HHRMGTRTCHNCRO-FDROIEKHSA-N
SGA

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

Yes

Standard parent

GAL

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned