BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8S

Number of entries in BioLiP:

Chemical formula:

C4 H12 N O5 P

InChI:

InChI=1S/C4H12NO5P/c1-3(6)4(5)2-10-11(7,8)9/h3-4,6H,2,5H2,1H3,(H2,7,8,9)/t3-,4-/m0/s1

InChIKey:

FUMMRDYMVGSHMU-IMJSIDKUSA-N

SMILES:

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

Name:

acyclic D-threoninol nucleic acid ;
[(2~{S},3~{S})-2-azanyl-3-oxidanyl-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).