BioLiP

PDB

BioLiP

PDB CCD ID:

GJM

Number of entries in BioLiP:

Chemical formula:

C6 H10 O3

InChI:

InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1

InChIKey:

MQAYFGXOFCEZRW-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCCCO1
OpenEye OEToolkits 2.0.7	C1CCOC(C1)C(=O)O
OpenEye OEToolkits 2.0.7	C1CCO[C@@H](C1)C(=O)O
ACDLabs 12.01	O=C(O)C1CCCCO1
CACTVS 3.385	OC(=O)[C@@H]1CCCCO1

Name:

(2S)-oxane-2-carboxylic acid

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).