BioLiP

PDB

BioLiP

PDB CCD ID:

PH4

Number of entries in BioLiP:

Chemical formula:

C5 H13 N O10 P2

InChI:

InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)

InChIKey:

IISKWLQYGVRJHI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O
CACTVS 3.341	ON(CCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O
ACDLabs 10.04	O=P(O)(OCCCN(O)C(=O)COP(=O)(O)O)O

Name:

3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate

ChEMBL:

CHEMBL1235276

ZINC:

ZINC000058638417

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).