SEQ2FUN

BioLiP

PDB CCD ID: GL5
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N2 O8
InChI: InChI=1S/C8H12N2O8/c11-1-2-3(12)4(13)5(14)8(18-2)6(15)10(17)7(16)9-8/h2-5,11-14,17H,1H2,(H,9,16)/t2-,3-,4+,5-,8+/m1/s1
InChIKey: IHDZZZHACPJCFJ-WWHASAIZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH]1O[C]2(NC(=O)N(O)C2=O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O=C2N(O)C(=O)NC21OC(C(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C2(O1)C(=O)N(C(=O)N2)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)O)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@@]2(NC(=O)N(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O
Name:(5S,7R,8S,9S,10R)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione;
3,8,9,10-TETRAHYDROXY-7-HYDROXYMETHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE
ChEMBL: CHEMBL611940
DrugBank: DB02447
ZINC: ZINC000003833816
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).