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BioLiP

PDB CCD ID: 3S6
Number of entries in BioLiP: 2
Chemical formula: C9 H16 O6
InChI: InChI=1S/C9H16O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9-/m1/s1
InChIKey: ZOIPKVBHIUBYNB-GOFVFXDOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH](O)[CH]1O[CH](OCC=C)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O
OpenEye OEToolkits 1.9.2C=CCOC1C(C(C(O1)C(CO)O)O)O
ACDLabs 12.01O(C/C=C)C1OC(C(O)C1O)C(O)CO
CACTVS 3.385OC[C@@H](O)[C@@H]1O[C@@H](OCC=C)[C@H](O)[C@H]1O
Name:prop-2-en-1-yl beta-D-galactofuranoside;
prop-2-en-1-yl beta-D-galactoside;
prop-2-en-1-yl D-galactoside;
prop-2-en-1-yl galactoside
ZINC: ZINC000263621350
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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