SEQ2FUN

BioLiP

PDB CCD ID: KHP
Number of entries in BioLiP: 5
Chemical formula: C11 H13 N O7
InChI: InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1
InChIKey: DUYYBTBDYZXISX-UKKRHICBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O
CACTVS 3.341OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@H]1O
ACDLabs 10.04[O-][N+](=O)c2ccc(OC1OC(C(O)C1O)CO)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])OC2C(C(C(O2)CO)O)O
Name:4-nitrophenyl alpha-L-arabinofuranoside;
2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-TETRAHYDRO-FURAN-3,4-DIOL;
4-NITROPHENYL-ARA;
4-nitrophenyl alpha-L-arabinoside;
4-nitrophenyl L-arabinoside;
4-nitrophenyl arabinoside
DrugBank: DB03196
ZINC: ZINC000006093332
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).