BioLiP

PDB

BioLiP

PDB CCD ID:

RV8

Number of entries in BioLiP:

Chemical formula:

C12 H15 N3 O6

InChI:

InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2/t7-,8-,9-/m0/s1

InChIKey:

OUPZKGBUJRBPGC-CIUDSAMLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]3CO3)C[C@H]4CO4
CACTVS 3.385	O=C1N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C(=O)N1C[CH]4CO4
OpenEye OEToolkits 2.0.7	C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4
CACTVS 3.385	O=C1N(C[C@H]2CO2)C(=O)N(C[C@H]3CO3)C(=O)N1C[C@H]4CO4

Name:

Triglycidyl isocyanurate;
1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione

ZINC:

ZINC000003643619

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).