BioLiP

PDB

BioLiP

PDB CCD ID:

CHS

Number of entries in BioLiP:

Chemical formula:

C11 H21 N O3

InChI:

InChI=1S/C11H21NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h8-10,13H,1-7,12H2,(H,14,15)/t9-,10-/m0/s1

InChIKey:

UQWNNUPJBDWRHC-UWVGGRQHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CCC(CC1)CC(C(CC(=O)O)O)N
CACTVS 3.341	N[C@@H](CC1CCCCC1)[C@@H](O)CC(O)=O
ACDLabs 10.04	O=C(O)CC(O)C(N)CC1CCCCC1
OpenEye OEToolkits 1.5.0	C1CCC(CC1)C[C@@H]([C@H](CC(=O)O)O)N
CACTVS 3.341	N[CH](CC1CCCCC1)[CH](O)CC(O)=O

Name:

4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTANOIC ACID

ZINC:

ZINC000002526313

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).