BioLiP

PDB

BioLiP

PDB CCD ID:

PUW

Number of entries in BioLiP:

Chemical formula:

C6 H15 N2 O4 P

InChI:

InChI=1S/C6H15N2O4P/c7-3-1-2-4-8-6(9)5-13(10,11)12/h1-5,7H2,(H,8,9)(H2,10,11,12)

InChIKey:

VJPDOEGJBRLVCO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(NCCCCN)CP(=O)(O)O
OpenEye OEToolkits 1.7.6	C(CCNC(=O)CP(=O)(O)O)CN
CACTVS 3.370	NCCCCNC(=O)C[P](O)(O)=O

Name:

N-(PHOSPHONOACETYL)-PUTRESCINE

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).