SEQ2FUN

BioLiP

PDB CCD ID: OPM
Number of entries in BioLiP: 1
Chemical formula: C11 H22 O6
InChI: InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1
InChIKey: RYIWDDCNJPSPRA-UVOCVTCTSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCCCC)C1OC(C(O)C(O)C1O)CO
CACTVS 3.341CCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
CACTVS 3.341CCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CCCCCOC1C(C(C(C(O1)CO)O)O)O
OpenEye OEToolkits 1.5.0CCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Name:pentyl alpha-D-mannopyranoside;
O1-PENTYL-MANNOSE;
pentyl alpha-D-mannoside;
pentyl D-mannoside;
pentyl mannoside
DrugBank: DB02695
ZINC: ZINC000005973254

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).