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SGM : Summary

Code

SGM

One-letter code

X

Molecule name

MONOTHIOGLYCEROL

Systematic names

ProgramVersionName
ACDLabs 11.02 (2R)-3-sulfanylpropane-1,2-diol
OpenEye OEToolkits 1.6.1 (2R)-3-sulfanylpropane-1,2-diol

Formula

C3 H8 O2 S

Formal charge

0

Molecular weight

108.159 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 OCC(O)CS
SMILES CACTVS 3.352 OC[CH](O)CS
SMILES OpenEye OEToolkits 1.7.0 C(C(CS)O)O
Canonical SMILES CACTVS 3.352 OC[C@@H](O)CS
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@H](CS)O)O

IUPAC InChI

InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1

IUPAC InChI key

PJUIMOJAAPLTRJ-GSVOUGTGSA-N
SGM

wwPDB Information

Atom count

14 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned