BioLiP

PDB

BioLiP

PDB CCD ID:

E8U

Number of entries in BioLiP:

Chemical formula:

C7 H10 O6

InChI:

InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m1/s1

InChIKey:

HNOAJOYERZTSNK-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(CC(=O)O)[C@H](CC(=O)C(=O)O)O
CACTVS 3.385	O[CH](CCC(O)=O)CC(=O)C(O)=O
CACTVS 3.385	O[C@H](CCC(O)=O)CC(=O)C(O)=O
OpenEye OEToolkits 1.9.2	C(CC(=O)O)C(CC(=O)C(=O)O)O
ACDLabs 12.01	O=C(C(=O)O)CC(O)CCC(=O)O

Name:

(4R)-4-oxidanyl-2-oxidanylidene-heptanedioic 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).