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BioLiP

PDB CCD ID: PDI
Number of entries in BioLiP: 0
Chemical formula: C3 H9 O5 P
InChI: InChI=1S/C3H9O5P/c4-2-1-3-8-9(5,6)7/h4H,1-3H2,(H2,5,6,7)
InChIKey: HYCSHFLKPSMPGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO)COP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCCCO
CACTVS 3.341OCCCO[P](O)(O)=O
Name:PHOSPHORIC ACID MONO-(3-HYDROXY-PROPYL) ESTER
ZINC: ZINC000005113578
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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