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BioLiP

PDB CCD ID: UKQ
Number of entries in BioLiP: 1
Chemical formula: C7 H12 O5
InChI: InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3-,4+,5+,6+,7-/m1/s1
InChIKey: YQLWKYQDOQEWRD-BYNCVWKDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C@H]1O2)O)O)O)O
CACTVS 3.385OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H]2O[C@@H]12
OpenEye OEToolkits 2.0.7C(C1C(C(C(C2C1O2)O)O)O)O
Name:(1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol;
(1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol;
epi-manno-cyclophellitol
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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