BioLiP

PDB

BioLiP

PDB CCD ID:

JBU

Number of entries in BioLiP:

Chemical formula:

C6 H10 O6

InChI:

InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1

InChIKey:

WPAMZTWLKIDIOP-NQXXGFSBSA-N

SMILES:

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

Name:

(4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid

ZINC:

ZINC000001532569

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).