SEQ2FUN

BioLiP

PDB CCD ID: DEL
Number of entries in BioLiP: 0
Chemical formula: C12 H22 O10
InChI: InChI=1S/C12H22O10/c13-2-4-1-5(15)7(16)12(20-4)22-10-6(3-14)21-11(19)9(18)8(10)17/h4-19H,1-3H2/t4-,5-,6+,7+,8+,9+,10+,11+,12-/m0/s1
InChIKey: DSYGIMVFFQCOQZ-KYYLAPRMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH]1C[CH](O)[CH](O)[CH](O1)O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO
CACTVS 3.341OC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O1)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO
ACDLabs 10.04OC2C(OC1OC(CO)CC(O)C1O)C(OC(O)C2O)CO
OpenEye OEToolkits 1.5.0C1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)O)CO)CO
OpenEye OEToolkits 1.5.0C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO
Name:4-DEOXYLACTOSE
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).