SEQ2FUN

BioLiP

PDB CCD ID: 0CG
Number of entries in BioLiP: 2
Chemical formula: C3 H6 O7 P2
InChI: InChI=1S/C3H6O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h1H,3H2,(H,7,8)(H2,4,5,6)
InChIKey: CEUAGVILADDFJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C#CCOP(=O)(O)OP(=O)(O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(OCC#C)O
CACTVS 3.370O[P](O)(=O)O[P](O)(=O)OCC#C
Name:prop-2-yn-1-yl trihydrogen diphosphate
ChEMBL: CHEMBL2251809
ZINC: ZINC000098207788
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).