BioLiP

PDB

BioLiP

PDB CCD ID:

U5O

Number of entries in BioLiP:

Chemical formula:

C5 H11 O4 P

InChI:

InChI=1S/C5H11O4P/c1-3-5(2)4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)/b5-3+

InChIKey:

LEHUQIAIMZSVST-HWKANZROSA-N

SMILES:

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

Name:

(2E)-2-methylbut-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).