Chemical Components in the PDB

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UCU : Summary

Code

UCU

One-letter code

X

Molecule name

(2R)-2-oxidanylbutanoic acid

Synonyms

(R)-2-Hydroxybutanoic acid

Systematic names

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

Formula

C4 H8 O3

Formal charge

0

Molecular weight

104.105 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1

IUPAC InChI key

AFENDNXGAFYKQO-GSVOUGTGSA-N
UCU

wwPDB Information

Atom count

15 (7 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