SEQ2FUN

BioLiP

PDB CCD ID: KO2
Number of entries in BioLiP: 11
Chemical formula: C11 H18 O9
InChI: InChI=1S/C11H18O9/c1-2-3-19-11(10(17)18)9(16)7(15)6(14)8(20-11)5(13)4-12/h2,5-9,12-16H,1,3-4H2,(H,17,18)/t5-,6-,7+,8-,9+,11-/m1/s1
InChIKey: MJWRJGHIYDIAQR-RUEXUQCSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH]1O[C](OCC=C)([CH](O)[CH](O)[CH]1O)C(O)=O
CACTVS 3.341OC[C@@H](O)[C@H]1O[C@](OCC=C)([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O
OpenEye OEToolkits 1.5.0C=CCOC1(C(C(C(C(O1)C(CO)O)O)O)O)C(=O)O
ACDLabs 10.04O=C(O)C1(OC\C=C)OC(C(O)CO)C(O)C(O)C1O
Name:prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid;
prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulosidonic acid;
prop-2-en-1-yl D-glycero-D-talo-oct-2-ulosidonic acid;
prop-2-en-1-yl D-glycero-talo-oct-2-ulosidonic acid
ZINC: ZINC000058638803
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).