SEQ2FUN

BioLiP

PDB CCD ID: 4LR
Number of entries in BioLiP: 21
Chemical formula: C5 H11 O4 P
InChI: InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)
InChIKey: MQCJHQBRIPSIKA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=CCOP(=O)(O)O)C
CACTVS 3.385CC(C)=CCO[P](O)(O)=O
ACDLabs 12.01OP(OC\C=C(\C)C)(O)=O
Name:Dimethylallyl monophosphate
ChEMBL: CHEMBL144874
ZINC: ZINC000002526571
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).