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BioLiP

PDB CCD ID: BOY
Number of entries in BioLiP: 1
Chemical formula: C8 H11 O4 P
InChI: InChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)/t8-/m1/s1
InChIKey: AFOAUCXHAIELNA-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(cc1)[C@H](O)[P](O)(O)=O
ACDLabs 12.01Cc1ccc(cc1)C(P(O)(O)=O)O
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)[C@H](O)P(=O)(O)O
CACTVS 3.385Cc1ccc(cc1)[CH](O)[P](O)(O)=O
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)C(O)P(=O)(O)O
Name:[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid
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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