BioLiP

PDB

BioLiP

PDB CCD ID:

WOG

Number of entries in BioLiP:

Chemical formula:

C8 H17 O4 P

InChI:

InChI=1S/C8H17O4P/c1-3-4-5-8(2)6-7-12-13(9,10)11/h6H,3-5,7H2,1-2H3,(H2,9,10,11)/b8-6+

InChIKey:

QMNGGLZLXZOOFN-SOFGYWHQSA-N

SMILES:

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

Name:

(2E)-3-methylhept-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).