BioLiP

PDB

BioLiP

PDB CCD ID:

UCY

Number of entries in BioLiP:

Chemical formula:

C8 H17 O2 P

InChI:

InChI=1S/C8H17O2P/c1-8(2)6-4-5-7(8)10-11(3)9/h7,11H,4-6H2,1-3H3/t7-/m0/s1

InChIKey:

GJIHMVVDUGLKHR-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1(CCCC1OP(=O)C)C
OpenEye OEToolkits 2.0.7	CC1(CCC[C@@H]1O[P@H](=O)C)C
CACTVS 3.385	C[PH](=O)O[CH]1CCCC1(C)C
CACTVS 3.385	C[P@H](=O)O[C@H]1CCCC1(C)C
ACDLabs 12.01	CP(=O)OC1C(C)(CCC1)C

Name:

(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate;
2,2-dimethylcyclopentyl methylphosphinate

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).