BioLiP

PDB

BioLiP

PDB CCD ID:

X1Y

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O2

InChI:

InChI=1S/C10H20N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h8-11,13-14H,1-7H2/t9-,10-/m1/s1

InChIKey:

QJXOGSBPPLHAFK-NXEZZACHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@@H]1CCN(C2CCCCC2)[C@H](O)N1
ACDLabs 12.01	N1(C(O)NC(O)CC1)C2CCCCC2
OpenEye OEToolkits 2.0.7	C1CCC(CC1)N2CCC(NC2O)O
OpenEye OEToolkits 2.0.7	C1CCC(CC1)N2CC[C@H](N[C@H]2O)O
CACTVS 3.385	O[CH]1CCN(C2CCCCC2)[CH](O)N1

Name:

(2R,4R)-1-cyclohexylhexahydropyrimidine-2,4-diol

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).