SEQ2FUN

BioLiP

PDB CCD ID: R7Y
Number of entries in BioLiP: 2
Chemical formula: C20 H39 N5 O10
InChI: InChI=1S/C20H39N5O10/c1-6(27)25-9-3-10(28)11(4-21)32-19(9)34-17-7(22)2-8(23)18(16(17)31)35-20-15(30)13(24)14(29)12(5-26)33-20/h7-20,26,28-31H,2-5,21-24H2,1H3,(H,25,27)/t7-,8+,9+,10-,11+,12+,13-,14+,15+,16-,17+,18-,19+,20+/m0/s1
InChIKey: DMDYSSAQCCMAGB-VMNCQBCKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH]1C[CH](O)[CH](CN)O[CH]1O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2O
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)CN)O
OpenEye OEToolkits 2.0.7CC(=O)NC1CC(C(OC1OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)CN)O
CACTVS 3.385CC(=O)N[C@@H]1C[C@H](O)[C@@H](CN)O[C@@H]1O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O
ACDLabs 12.01CC(=O)NC1CC(C(OC1OC2C(N)CC(C(C2O)OC3OC(CO)C(O)C(C3O)N)N)CN)O
Name:(1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-D-glucopyranoside;
acetylated-tobramycin
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).