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BioLiP

PDB CCD ID: 2M5
Number of entries in BioLiP: 3
Chemical formula: C8 H16 O6
InChI: InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1
InChIKey: PNWOVLBMFHSUMR-IHKZFYOVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O
CACTVS 3.370CO[C@H]1O[C@H]([C@H](C)O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 12.01OC1C(O)C(O)C(OC1OC)C(O)C
CACTVS 3.370CO[CH]1O[CH]([CH](C)O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0CC(C1C(C(C(C(O1)OC)O)O)O)O
Name:methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside;
methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside;
methyl 7-deoxy-L-glycero-D-manno-heptoside;
methyl 7-deoxy-L-glycero-manno-heptoside
ZINC: ZINC000058633204
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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