SEQ2FUN

BioLiP

PDB CCD ID: 6GB
Number of entries in BioLiP: 0
Chemical formula: C12 H23 O14 P
InChI: InChI=1S/C12H23O14P/c13-5-3(25-11(19)9(17)7(5)15)1-23-12-10(18)8(16)6(14)4(26-12)2-24-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
InChIKey: MPJUWDDYGSGMFC-LIZSDCNHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O
CACTVS 3.370O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O
CACTVS 3.370O[CH]1O[CH](CO[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01O=P(O)(O)OCC2OC(OCC1OC(O)C(O)C(O)C1O)C(O)C(O)C2O
Name:6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose;
gentiobiose 6-phosphate
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).