BioLiP

PDB

BioLiP

PDB CCD ID:

J8T

Number of entries in BioLiP:

Chemical formula:

C6 H14 N O6 P

InChI:

InChI=1S/C6H14NO6P/c1-6(2,4(8)5(7)9)3-13-14(10,11)12/h4,8H,3H2,1-2H3,(H2,7,9)(H2,10,11,12)/t4-/m0/s1

InChIKey:

UUMQHJQLVJSTLV-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(COP(=O)(O)O)C(C(=O)N)O
CACTVS 3.385	CC(C)(CO[P](O)(O)=O)[CH](O)C(N)=O
CACTVS 3.385	CC(C)(CO[P](O)(O)=O)[C@@H](O)C(N)=O
OpenEye OEToolkits 2.0.7	CC(C)(COP(=O)(O)O)[C@H](C(=O)N)O

Name:

[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate

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).