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BioLiP

PDB CCD ID: AFO
Number of entries in BioLiP: 1
Chemical formula: C13 H26 O5
InChI: InChI=1S/C13H26O5/c1-2-3-4-5-6-7-8-17-13-12(16)11(15)10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1
InChIKey: DULPXMOVQIYGDB-NDBYEHHHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0CCCCCCCCOC1C(C(C(O1)CO)O)O
OpenEye OEToolkits 1.7.0CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O
ACDLabs 12.01O(CCCCCCCC)C1OC(C(O)C1O)CO
CACTVS 3.370CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH]1O
Name:octyl alpha-D-arabinofuranoside;
octyl alpha-D-arabinoside;
octyl D-arabinoside;
octyl arabinoside
ZINC: ZINC000058650021
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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