BioLiP

PDB

BioLiP

PDB CCD ID:

KPR

Number of entries in BioLiP:

Chemical formula:

C5 H10 N O5 P

InChI:

InChI=1S/C5H10NO5P/c1-4(6)5(7)2-3-11-12(8,9)10/h2-4H,6H2,1H3,(H2,8,9,10)/b3-2+/t4-/m0/s1

InChIKey:

RTVKPJRIOVZREZ-ZPYNKGFJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](N)C(=O)\C=C\O[P](O)(O)=O
OpenEye OEToolkits 2.0.5	C[C@@H](C(=O)/C=C/OP(=O)(O)O)N
CACTVS 3.385	C[CH](N)C(=O)C=CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5	CC(C(=O)C=COP(=O)(O)O)N

Name:

[(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate

ZINC:

ZINC000584905595

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).