BioLiP

PDB

BioLiP

PDB CCD ID:

CHA

Number of entries in BioLiP:

Chemical formula:

C9 H19 N O

InChI:

InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1

InChIKey:

QWDRYURVUDZKSG-VIFPVBQESA-N

SMILES:

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

Name:

1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE

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).