BioLiP

PDB

BioLiP

PDB CCD ID:

Y7D

Number of entries in BioLiP:

Chemical formula:

C8 H18 O7 P2

InChI:

InChI=1S/C8H18O7P2/c1-3-4-5-8(2)6-7-14-17(12,13)15-16(9,10)11/h6H,3-5,7H2,1-2H3,(H,12,13)(H2,9,10,11)/b8-6-

InChIKey:

UIWSLTUOMNESGZ-VURMDHGXSA-N

SMILES:

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

Name:

(2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate

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).