SEQ2FUN

BioLiP

PDB CCD ID: GTL
Number of entries in BioLiP: 4
Chemical formula: C6 H12 N2 O5
InChI: InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3+,4+,5-/m1/s1
InChIKey: VBXHGXTYZGYTQG-MGCNEYSASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[C@H]1NC(=N\O)/[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(=NO)N1)O)O)O)O
CACTVS 3.341OC[CH]1NC(=NO)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(O)C(=N\O)\NC1CO
Name:(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE;
D-GALACTOHYDROXIMO-1,5-LACTAM
DrugBank: DB02525
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).