BioLiP

PDB

BioLiP

PDB CCD ID:

78I

Number of entries in BioLiP:

Chemical formula:

C5 H8 O4

InChI:

InChI=1S/C5H8O4/c6-3(4(7)8)5(9)1-2-5/h3,6,9H,1-2H2,(H,7,8)/t3-/m0/s1

InChIKey:

XIFMBZFYSIRQIK-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CC1(C(C(=O)O)O)O
OpenEye OEToolkits 2.0.7	C1CC1([C@H](C(=O)O)O)O
CACTVS 3.385	O[CH](C(O)=O)C1(O)CC1
CACTVS 3.385	O[C@@H](C(O)=O)C1(O)CC1

Name:

(2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic 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).