BioLiP

PDB

BioLiP

PDB CCD ID:

DMV

Number of entries in BioLiP:

Chemical formula:

C6 H12 O4

InChI:

InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1

InChIKey:

PDGXJDXVGMHUIR-UJURSFKZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCC(C)(C(C(=O)O)O)O
CACTVS 3.341	CC[C@@](C)(O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.5.0	CC[C@](C)([C@H](C(=O)O)O)O
CACTVS 3.341	CC[C](C)(O)[CH](O)C(O)=O
ACDLabs 10.04	O=C(O)C(O)C(O)(C)CC

Name:

2,3-DIHYDROXY-VALERIANIC ACID

DrugBank:

DB03675

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).