SEQ2FUN

BioLiP

PDB CCD ID: EIP
Number of entries in BioLiP: 12
Chemical formula: C5 H14 O8 P2
InChI: InChI=1S/C5H14O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h5-6H,2-4H2,1H3,(H,10,11)(H2,7,8,9)/t5-/m0/s1
InChIKey: URURINNTPGGDIV-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO
CACTVS 3.341C[CH](CO)CCO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.341C[C@H](CO)CCO[P@@](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OP(=O)(OCCC(CO)C)O)(O)O
OpenEye OEToolkits 1.5.0CC(CCOP(=O)(O)OP(=O)(O)O)CO
Name:4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE
DrugBank: DB01799
ZINC: ZINC000002047413
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).