Chemical Components in the PDB

pdbe.org/chem
spacer

EPO : Summary

Code

EPO

One-letter code

X

Molecule name

(2R,3R)-oxirane-2,3-dicarboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R,3R)-oxirane-2,3-dicarboxylic acid
OpenEye OEToolkits 1.7.0 (3R)-oxirane-2,3-dicarboxylic acid

Formula

C4 H4 O5

Formal charge

0

Molecular weight

132.072 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1OC1C(=O)O
SMILES CACTVS 3.370 OC(=O)[CH]1O[CH]1C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C1(C(O1)C(=O)O)C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)[C@@H]1O[C@H]1C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 [C@@H]1(C(O1)C(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1

IUPAC InChI key

DCEMCPAKSGRHCN-JCYAYHJZSA-N

Is part of

0HW , EP2
EPO

wwPDB Information

Atom count

13 (9 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