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BioLiP

PDB CCD ID: 05M
Number of entries in BioLiP: 2
Chemical formula: C37 H45 O4 P
InChI: InChI=1S/C37H45O4P/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32/h10-18,21-26,42H,4-9,19-20,27-28H2,1-3H3
InChIKey: BIPKQWZPPRRUAP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4
CACTVS 3.385COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c4ccccc4
Name:2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione
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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