Chemical Components in the PDB

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UE3 : Summary

Code

UE3

One-letter code

X

Molecule name

(2R)-2-oxidanylpentanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-2-oxidanylpentanoic acid

Formula

C5 H10 O3

Formal charge

0

Molecular weight

118.131 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCC[CH](O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CCCC(C(=O)O)O
Canonical SMILES CACTVS 3.385 CCC[C@@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCC[C@H](C(=O)O)O

IUPAC InChI

InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1

IUPAC InChI key

JRHWHSJDIILJAT-SCSAIBSYSA-N
UE3

wwPDB Information

Atom count

18 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-05-26

Last modified at

2023-10-13

Status

Released

Obsoleted

Not Assigned