BioLiP

PDB

BioLiP

PDB CCD ID:

FT5

Number of entries in BioLiP:

Chemical formula:

C7 H12 O5

InChI:

InChI=1S/C7H12O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h3-6,8-10H,1-2H2,(H,11,12)/t3-,4+,5-,6-

InChIKey:

SOWVWGZSLABJMC-HMWJNGDSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1[C@H](C(C(CC1C(=O)O)O)O)O
CACTVS 3.385	O[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.6	C1C(CC(C(C1O)O)O)C(=O)O
CACTVS 3.385	O[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O

Name:

(3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic 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).