BioLiP

PDB

BioLiP

PDB CCD ID:

GD8

Number of entries in BioLiP:

Chemical formula:

C7 H17 O2 P

InChI:

InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1

InChIKey:

QZUGWOMGKDLYKO-ZCFIWIBFSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=P(OC(C)C(C)(C)C)C
CACTVS 3.341	C[C@@H](O[P@@H](C)=O)C(C)(C)C
OpenEye OEToolkits 1.5.0	CC(C(C)(C)C)OP(=O)C
CACTVS 3.341	C[CH](O[PH](C)=O)C(C)(C)C
OpenEye OEToolkits 1.5.0	C[C@H](C(C)(C)C)O[P@H](=O)C

Name:

(1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE

DrugBank:

DB07821

ZINC:

ZINC000038494900

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).