BioLiP

PDB

BioLiP

PDB CCD ID:

IPE

Number of entries in BioLiP:

151

Chemical formula:

C5 H12 O7 P2

InChI:

InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)

InChIKey:

NUHSROFQTUXZQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(=C)CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	CC(=C)CCOP(=O)(O)OP(=O)(O)O
ACDLabs 10.04	O=P(OP(=O)(O)O)(OCC\C(=C)C)O
OpenEye OEToolkits 1.5.0	CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O
CACTVS 3.341	CC(=C)CCO[P@](O)(=O)O[P](O)(O)=O

Name:

3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE;
ISOPENTENYL PYROPHOSPHATE

ChEMBL:

CHEMBL356362

DrugBank:

DB04714

ZINC:

ZINC000008215654

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).