SEQ2FUN

BioLiP

PDB CCD ID: 299
Number of entries in BioLiP: 1
Chemical formula: C9 H9 O6 P
InChI: InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)
InChIKey: NAYNUXXSJZLKPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(c(c(c1)C=O)OP(=O)(O)O)C=O
ACDLabs 10.04O=P(Oc1c(cc(cc1C=O)C)C=O)(O)O
CACTVS 3.341Cc1cc(C=O)c(O[P](O)(O)=O)c(C=O)c1
Name:2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE;
RU78299
ChEMBL: CHEMBL421138
DrugBank: DB03828
ZINC: ZINC000012503945
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).