BioLiP

PDB

BioLiP

PDB CCD ID:

SNW

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O8

InChI:

InChI=1S/C11H20N2O8/c12-7(15)2-1-5(10(18)19)13-4-11(20)9(17)8(16)6(14)3-21-11/h5-6,8-9,13-14,16-17,20H,1-4H2,(H2,12,15)(H,18,19)/t5-,6+,8+,9-,11+/m0/s1

InChIKey:

SNIATPDKUZZXAT-VISRLPHGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)CC[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(O)=O
CACTVS 3.385	NC(=O)CC[CH](NC[C]1(O)OC[CH](O)[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.5	C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O
OpenEye OEToolkits 2.0.5	C1C(C(C(C(O1)(CNC(CCC(=O)N)C(=O)O)O)O)O)O

Name:

Deoxyfructosylglutamine;
santhopine

ZINC:

ZINC000584905675

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).