Chemical Components in the PDB

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DGY : Summary

Code

DGY

One-letter code

X

Molecule name

(2R)-2,3-DIHYDROXYPROPANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2,3-dihydroxypropanoic acid
OpenEye OEToolkits 1.5.0 (2R)-2,3-dihydroxypropanoic acid

Formula

C3 H6 O4

Formal charge

0

Molecular weight

106.077 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1

IUPAC InChI key

RBNPOMFGQQGHHO-UWTATZPHSA-N
DGY

wwPDB Information

Atom count

13 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-04-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned