SEQ2FUN

BioLiP

PDB CCD ID: 1S3
Number of entries in BioLiP: 1
Chemical formula: C6 H11 O8 P
InChI: InChI=1S/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1
InChIKey: PUJJEEQZLDDQPG-VFUOTHLCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C2C(O1)OP(=O)(O2)O)O)O)O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O
CACTVS 3.370OC[CH]1O[CH]2O[P](O)(=O)O[CH]2[CH](O)[CH]1O
CACTVS 3.370OC[C@H]1O[C@@H]2O[P](O)(=O)O[C@@H]2[C@@H](O)[C@@H]1O
ACDLabs 12.01O=P1(OC2C(O)C(O)C(OC2O1)CO)O
Name:(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide;
Glucose1,2cyclic 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).