SEQ2FUN

BioLiP

PDB CCD ID: D6P
Number of entries in BioLiP: 1
Chemical formula: C7 H15 O7 P
InChI: InChI=1S/C7H15O7P/c8-3-1-5(9)7(11)6(10)2-4-15(12,13)14/h2,4-11H,1,3H2,(H2,12,13,14)/b4-2+/t5-,6-,7+/m1/s1
InChIKey: CZQSGBWQBMZTMQ-AEVYZNAZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO)[C@H]([C@@H]([C@@H](\C=C\P(=O)(O)O)O)O)O
CACTVS 3.341OCC[CH](O)[CH](O)[CH](O)C=C[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(CO)C(C(C(C=CP(=O)(O)O)O)O)O
CACTVS 3.341OCC[C@@H](O)[C@H](O)[C@H](O)\C=C\[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)/C=C/C(O)C(O)C(O)CCO
Name:(3,4,5,7-TETRAHYDROXY-HEPT-1-ENYL)-PHOSPHONIC ACID;
2-DEOXY-D-GLUCITOL 6-(E)-VINYLHOMOPHOSPHONATE
DrugBank: DB01840
ZINC: ZINC000005828783
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).