BioLiP

PDB

BioLiP

PDB CCD ID:

U4R

Number of entries in BioLiP:

Chemical formula:

C4 H9 O4 P

InChI:

InChI=1S/C4H9O4P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+

InChIKey:

KCUTZTDKOSEILP-NSCUHMNNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC=CCOP(=O)(O)O
ACDLabs 12.01	O=P(O)(O)OC\C=C\C
CACTVS 3.385	C/C=C/CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7	C/C=C/COP(=O)(O)O
CACTVS 3.385	CC=CCO[P](O)(O)=O

Name:

(2E)-but-2-en-1-yl 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).