BioLiP

PDB

BioLiP

PDB CCD ID:

VDK

Number of entries in BioLiP:

Chemical formula:

C7 H14 N O2

InChI:

InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1/t5-,6-/m0/s1

InChIKey:

CKTUXQBZPWBFDX-WDSKDSINSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CC(CC(C1)[NH3+])C(=O)O
OpenEye OEToolkits 2.0.7	C1C[C@@H](C[C@H](C1)[NH3+])C(=O)O
CACTVS 3.385	[NH3+][CH]1CCC[CH](C1)C(O)=O
CACTVS 3.385	[NH3+][C@H]1CCC[C@@H](C1)C(O)=O

Name:

[(1S,3S)-3-carboxycyclohexyl]azanium

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).