BioLiP

PDB

BioLiP

PDB CCD ID:

UE3

Number of entries in BioLiP:

Chemical formula:

C5 H10 O3

InChI:

InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1

InChIKey:

JRHWHSJDIILJAT-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC[CH](O)C(O)=O
OpenEye OEToolkits 2.0.7	CCCC(C(=O)O)O
OpenEye OEToolkits 2.0.7	CCC[C@H](C(=O)O)O
CACTVS 3.385	CCC[C@@H](O)C(O)=O

Name:

(2R)-2-oxidanylpentanoic acid;
(2R)-2-hydroxypentanoic acid

ZINC:

ZINC000000394028

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).