BioLiP

PDB

BioLiP

PDB CCD ID:

9GB

Number of entries in BioLiP:

Chemical formula:

C7 H15 O4 P

InChI:

InChI=1S/C7H15O4P/c1-3-4-7(2)5-6-11-12(8,9)10/h5H,3-4,6H2,1-2H3,(H2,8,9,10)/b7-5+

InChIKey:

QFTXOINSFIOLQI-FNORWQNLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCC/C(=C/COP(=O)(O)O)/C
CACTVS 3.385	CCCC(C)=CCO[P](O)(O)=O
CACTVS 3.385	CCCC(/C)=C/CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6	CCCC(=CCOP(=O)(O)O)C

Name:

[(~{E})-3-methylhex-2-enyl] 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).