Chemical Components in the PDB

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GOL : Summary

Code

GOL

One-letter code

X

Molecule name

GLYCEROL

Synonyms

GLYCERIN
PROPANE-1,2,3-TRIOL

Systematic names

ProgramVersionName
ACDLabs 12.01 propane-1,2,3-triol
OpenEye OEToolkits 1.7.0 propane-1,2,3-triol

Formula

C3 H8 O3

Formal charge

0

Molecular weight

92.094 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCC(O)CO
SMILES CACTVS 3.370 OCC(O)CO
SMILES OpenEye OEToolkits 1.7.0 C(C(CO)O)O
Canonical SMILES CACTVS 3.370 OCC(O)CO
Canonical SMILES OpenEye OEToolkits 1.7.0 C(C(CO)O)O

IUPAC InChI

InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2

IUPAC InChI key

PEDCQBHIVMGVHV-UHFFFAOYSA-N
GOL

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

2011-06-04

Status

Released

Obsoleted

Not Assigned