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BioLiP

PDB CCD ID: AD7
Number of entries in BioLiP: 2
Chemical formula: C20 H39 N O8
InChI: InChI=1S/C20H39NO8/c1-3-4-5-6-7-8-9-26-20-19(16(21)18(25)14(11-22)28-20)29-15-10-13(23)17(24)12(2)27-15/h12-20,22-25H,3-11,21H2,1-2H3/t12-,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1
InChIKey: GHTLMVRROQXELT-HTYYFBMYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2
OpenEye OEToolkits 1.5.0CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O
ACDLabs 10.04O(CCCCCCCC)C2OC(C(O)C(N)C2OC1OC(C)C(O)C(O)C1)CO
OpenEye OEToolkits 1.5.0CCCCCCCCOC1C(C(C(C(O1)CO)O)N)OC2CC(C(C(O2)C)O)O
CACTVS 3.341CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O[CH]2C[CH](O)[CH](O)[CH](C)O2
Name:octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside;
2-deoxy-Fuc-3-amino-Gal-H-antigen disaccharide;
amino-deoxy-acceptor
DrugBank: DB07341
ZINC: ZINC000053683001
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).
  • 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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