BioLiP

PDB

BioLiP

PDB CCD ID:

HCA

Number of entries in BioLiP:

Chemical formula:

C7 H10 O7

InChI:

InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1

InChIKey:

XKJVEVRQMLKSMO-SSDOTTSWSA-N

SMILES:

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

Name:

3-HYDROXY-3-CARBOXY-ADIPIC ACID

ZINC:

ZINC000001532902

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).