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BioLiP Library

PDB CCD ID: AOG
Number of entries in BioLiP: 1
Chemical formula: C14 H29 N O5
InChI: InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1
InChIKey: HABUHWBZDNZBSI-MBJXGIAVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O
CACTVS 3.341CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O
ACDLabs 10.04O(CCCCCCCC)C1OC(C(O)C(N)C1O)CO
OpenEye OEToolkits 1.5.0CCCCCCCCOC1C(C(C(C(O1)CO)O)N)O
CACTVS 3.341CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O
Name:octyl 3-amino-3-deoxy-beta-D-galactopyranoside;
4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL;
octyl 3-amino-3-deoxy-beta-D-galactoside;
octyl 3-amino-3-deoxy-D-galactoside;
octyl 3-amino-3-deoxy-galactoside
DrugBank: DB07378
ZINC: ZINC000053683016
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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