SEQ2FUN

BioLiP

PDB CCD ID: JLT
Number of entries in BioLiP: 2
Chemical formula: C8 H18 O10 P2
InChI: InChI=1S/C8H18O10P2/c9-6-4(1-2-19(12,13)14)18-5(3-20(15,16)17)7(10)8(6)11/h4-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)/t4-,5+,6-,7+,8+/m0/s1
InChIKey: BSBIMNCSLGLJLO-BZCSJUTBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CP(=O)(O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)O
CACTVS 3.385O[CH]1[CH](O)[CH](CC[P](O)(O)=O)O[CH](C[P](O)(O)=O)[CH]1O
CACTVS 3.385O[C@@H]1[C@@H](O)[C@H](CC[P](O)(O)=O)O[C@H](C[P](O)(O)=O)[C@H]1O
OpenEye OEToolkits 2.0.7C(CP(=O)(O)O)C1C(C(C(C(O1)CP(=O)(O)O)O)O)O
Name:3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol;
[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid
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).