Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

3GR : Summary

Code

3GR

One-letter code

X

Molecule name

D-Glyceraldehyde

Synonyms

GLYCERALDEHYDE
(2R)-2,3-DIHYDROXYPROPANAL

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2,3-dihydroxypropanal
OpenEye OEToolkits 2.0.7 (2~{R})-2,3-bis(oxidanyl)propanal

Formula

C3 H6 O3

Formal charge

0

Molecular weight

90.078 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(O)C(O)C=O
SMILES CACTVS 3.385 OC[CH](O)C=O
SMILES OpenEye OEToolkits 2.0.7 C(C(C=O)O)O
Canonical SMILES CACTVS 3.385 OC[C@@H](O)C=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@H](C=O)O)O

IUPAC InChI

InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1

IUPAC InChI key

MNQZXJOMYWMBOU-VKHMYHEASA-N
3GR

wwPDB Information

Atom count

12 (6 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2004-07-19

Last modified at

2020-06-29

Status

Released

Obsoleted

Not Assigned