SEQ2FUN

BioLiP

PDB CCD ID: ZDC
Number of entries in BioLiP: 113
Chemical formula: C8 H14 O6
InChI: InChI=1S/C8H14O6/c1-3-6(11)8(13)7(12)4(14-3)2-5(9)10/h3-4,6-8,11-13H,2H2,1H3,(H,9,10)/t3-,4-,6+,7+,8+/m0/s1
InChIKey: YTZUDUWVQZSKNN-OASCRQMUSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CC1OC(C(O)C(O)C1O)C
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)CC(=O)O)O)O)O
CACTVS 3.370C[C@@H]1O[C@@H](CC(O)=O)[C@@H](O)[C@H](O)[C@@H]1O
CACTVS 3.370C[CH]1O[CH](CC(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O
Name:3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
ZINC: ZINC000166514822
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).