BioLiP

PDB

BioLiP

PDB CCD ID:

MUC

Number of entries in BioLiP:

Chemical formula:

C6 H6 O4

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

InChIKey:

HPEKPJGPWNSAAV-SCSAIBSYSA-N

SMILES:

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

Name:

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

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).