BioLiP

PDB

BioLiP

PDB CCD ID:

P25

Number of entries in BioLiP:

Chemical formula:

C5 H14 O7 P2

InChI:

InChI=1S/C5H14O7P2/c1-2-3-4-5-11-14(9,10)12-13(6,7)8/h2-5H2,1H3,(H,9,10)(H2,6,7,8)

InChIKey:

VFFCVKZHJFIUBM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCOP(=O)(O)OP(=O)(O)O
CACTVS 3.341	CCCCCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	CCCCCO[P@@](=O)(O)OP(=O)(O)O
CACTVS 3.341	CCCCCO[P@](O)(=O)O[P](O)(O)=O
ACDLabs 10.04	O=P(OP(=O)(OCCCCC)O)(O)O

Name:

PENTYL TRIHYDROGEN DIPHOSPHATE

DrugBank:

DB02707

ZINC:

ZINC000012502488

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).