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BioLiP

PDB CCD ID: 300
Number of entries in BioLiP: 1
Chemical formula: C8 H9 O6 P
InChI: InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
InChIKey: CGEZBCISRKFHLZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cccc(c1OP(=O)(O)O)C=O
ACDLabs 10.04O=Cc1cccc(OC)c1OP(=O)(O)O
CACTVS 3.341COc1cccc(C=O)c1O[P](O)(O)=O
Name:2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE;
RU78300
ChEMBL: CHEMBL25186
DrugBank: DB03306
ZINC: ZINC000012503432
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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