BioLiP

PDB

BioLiP

PDB CCD ID:

DS0

Number of entries in BioLiP:

Chemical formula:

C3 H7 N2 O5 P

InChI:

InChI=1S/C3H7N2O5P/c4-2-1-9-5-3(2)10-11(6,7)8/h2H,1,4H2,(H2,6,7,8)/t2-/m1/s1

InChIKey:

SFMNESRSKJTEMJ-UWTATZPHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH]1CON=C1O[P](O)(O)=O
OpenEye OEToolkits 1.9.2	C1[C@H](C(=NO1)OP(=O)(O)O)N
ACDLabs 12.01	O=P(O)(OC1=NOCC1N)O
OpenEye OEToolkits 1.9.2	C1C(C(=NO1)OP(=O)(O)O)N
CACTVS 3.385	N[C@@H]1CON=C1O[P](O)(O)=O

Name:

[(4R)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate

ZINC:

ZINC000263621035

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).