SEQ2FUN

BioLiP

PDB CCD ID: GMZ
Number of entries in BioLiP: 1
Chemical formula: C7 H16 O13 P2
InChI: InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3+,4+,5+,6-,7+/m1/s1
InChIKey: LMTGTTLGDUACSJ-QTNLNCNHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@H]1O[C@@H](O[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=P(O)(O)OCC(O)C1OC(OP(=O)(O)O)C(O)C(O)C1O
OpenEye OEToolkits 1.7.6C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O
Name:1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose;
1,7-di-O-phosphono-D-glycero-beta-D-manno-heptose;
1,7-di-O-phosphono-D-glycero-D-manno-heptose;
1,7-di-O-phosphono-D-glycero-manno-heptose
ZINC: ZINC000004099126
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).