SEQ2FUN

BioLiP

PDB CCD ID: CAK
Number of entries in BioLiP: 1
Chemical formula: C7 H15 O8 P
InChI: InChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1
InChIKey: FPLZFJHCPYNBEO-OVHBTUCOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O
CACTVS 3.341O[CH]1C[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O=P(O)(O)OCC1CC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(C1O)O)O)O)COP(=O)(O)O
CACTVS 3.341O[C@@H]1C[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
Name:[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE;
[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL PHOSPHORIC ACID
ZINC: ZINC000038955195
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).