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BioLiP

PDB CCD ID: GL1
Number of entries in BioLiP: 4
Chemical formula: C6 H13 O9 P
InChI: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
InChIKey: HXXFSFRBOHSIMQ-FPRJBGLDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1O)CO)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
Name:1-O-phosphono-alpha-D-galactopyranose;
ALPHA-D-GALACTOSE-1-PHOSPHATE;
1-O-phosphono-alpha-D-galactose;
1-O-phosphono-D-galactose;
1-O-phosphono-galactose
DrugBank: DB02317
ZINC: ZINC000004096092
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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