BioLiP

PDB

BioLiP

PDB CCD ID:

A1IXG

Number of entries in BioLiP:

Chemical formula:

C27 H27 O12 P3

InChI:

InChI=1S/C27H27O12P3/c1-10-11(2)23-17-8-19-21-9-20-18-7-16(17)22(10)34-40(28,29)36-24(18)12(3)13(4)26(20)38-42(32,33)39-27(21)15(6)14(5)25(19)37-41(30,31)35-23/h7-9H2,1-6H3,(H,28,29)(H,30,31)(H,32,33)

InChIKey:

NGGZXQPIFFAJMJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c(C)c2O[P](O)(=O)Oc3c(C)c(C)c4O[P](O)(=O)Oc5c(C)c(C)c6O[P](O)(=O)Oc1c7Cc6c5Cc4c3Cc27
OpenEye OEToolkits 2.0.7	Cc1c(c2c3c4c1OP(=O)(Oc5c(c(c6c(c5C4)Cc7c(c(c(c(c7OP(=O)(O6)O)C)C)OP(=O)(O2)O)C3)C)C)O)C

Name:

phosphated-cyclotrixylohydroquinoylene

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).