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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 88Q
Number of entries in BioLiP: 4
Chemical formula: C12 H22 O6
InChI: InChI=1S/C12H22O6/c13-5-11(15)3-1-9(17-7-11)10-2-4-12(16,6-14)8-18-10/h9-10,13-16H,1-8H2/t9-,10-,11-,12-/m0/s1
InChIKey: FJMBBGDZFKPKCM-BJDJZHNGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C@@]1(O)CC[C@H](OC1)[C@@H]2CC[C@](O)(CO)CO2
ACDLabs 12.01OCC1(O)CCC(OC1)C2OCC(O)(CO)CC2
OpenEye OEToolkits 1.9.2C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O
OpenEye OEToolkits 1.9.2C1CC(COC1C2CCC(CO2)(CO)O)(CO)O
CACTVS 3.385OC[C]1(O)CC[CH](OC1)[CH]2CC[C](O)(CO)CO2
Name:1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-C-(hydroxymethyl)-L-manno-decitol
ZINC: ZINC000095920657

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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