BioLiP

PDB

BioLiP

PDB CCD ID:

OUO

Number of entries in BioLiP:

Chemical formula:

C6 H10 O5

InChI:

InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1

InChIKey:

XPQIPNORJZZYPV-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC(=O)O)[C@H](CO)C(=O)O
CACTVS 3.385	OC[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01	OC(=O)C(CCC(O)=O)CO
OpenEye OEToolkits 2.0.7	C(CC(=O)O)C(CO)C(=O)O
CACTVS 3.385	OC[CH](CCC(O)=O)C(O)=O

Name:

(2R)-2-(hydroxymethyl)pentanedioic acid

ZINC:

ZINC000013549583

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).