SEQ2FUN

BioLiP

PDB CCD ID: WT8
Number of entries in BioLiP: 0
Chemical formula: C13 H23 N3 O7
InChI: InChI=1S/C13H23N3O7/c1-5(17)9(16-7(3)18)11-10(15-6(2)14)8(19)4-13(22,23-11)12(20)21/h5,8-11,17,19,22H,4H2,1-3H3,(H2,14,15)(H,16,18)(H,20,21)/t5-,8-,9-,10-,11-,13+/m0/s1
InChIKey: GEBKXROHYJDJCX-RDDKKDHWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=N)C(O)=O
OpenEye OEToolkits 2.0.7[H]/N=C(/C)\NC1C(CC(OC1C(C(C)O)NC(=O)C)(C(=O)O)O)O
CACTVS 3.385C[C@H](O)[C@H](NC(C)=O)[C@@H]1O[C@](O)(C[C@H](O)[C@@H]1NC(C)=N)C(O)=O
OpenEye OEToolkits 2.0.7CC(C(C1C(C(CC(O1)(C(=O)O)O)O)NC(=N)C)NC(=O)C)O
Name: 7-Acetamido-5-acetimidoyl-3,5,7,9-tetradeoxy-L-glycero-L-manno-nonulosonic aci
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).