SEQ2FUN

BioLiP

PDB CCD ID: CKP
Number of entries in BioLiP: 12
Chemical formula: C6 H11 O10 P
InChI: InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1
InChIKey: LXQWHMQOSMCJIZ-ZGEUXELVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@H]1[C@@H](O)[C@@](O)(O[C@@H]1CO[P](O)(O)=O)C(O)=O
CACTVS 3.385O[CH]1[CH](O)[C](O)(O[CH]1CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6C(C1C(C(C(O1)(C(=O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 2.0.6C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O
Name:6-O-phosphono-beta-D-psicofuranosonic acid;
(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-2-CARBOXYLIC ACID;
2-KETO-6-PHOSPHATE-D-GLUCONIC ACID, ALPHA-FURANOSE FORM;
6-O-phosphono-beta-D-psicosonic acid;
6-O-phosphono-D-psicosonic acid;
6-O-phosphono-psicosonic acid
DrugBank: DB04663
ZINC: ZINC000012504457
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).