Chemical Components in the PDB

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MUC : Summary

Code

MUC

One-letter code

X

Molecule name

[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid

Synonyms

muconolactone

Systematic names

ProgramVersionName
ACDLabs 10.04 [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
OpenEye OEToolkits 1.5.0 2-[(2S)-5-oxo-2H-furan-2-yl]ethanoic acid

Formula

C6 H6 O4

Formal charge

0

Molecular weight

142.109 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CC1OC(=O)C=C1
SMILES CACTVS 3.341 OC(=O)C[CH]1OC(=O)C=C1
SMILES OpenEye OEToolkits 1.5.0 C1=CC(=O)OC1CC(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)C[C@@H]1OC(=O)C=C1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1=CC(=O)O[C@H]1CC(=O)O

IUPAC InChI

InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1

IUPAC InChI key

HPEKPJGPWNSAAV-SCSAIBSYSA-N
MUC

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-06-15

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned