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BioLiP

PDB CCD ID: IP8
Number of entries in BioLiP: 9
Chemical formula: C5 H11 O4 P
InChI: InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
InChIKey: QMZRXYCCCYYMHF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(OCCC(=C)\C)(O)O
OpenEye OEToolkits 1.7.6CC(=C)CCOP(=O)(O)O
CACTVS 3.370CC(=C)CCO[P](O)(O)=O
Name:Isopentenyl phosphate;
3-methylbut-3-en-1-yl dihydrogen phosphate
ChEMBL: CHEMBL342070
ZINC: ZINC000002557111
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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