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BioLiP

PDB CCD ID: 2M8
Number of entries in BioLiP: 14
Chemical formula: C9 H16 O9
InChI: InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1
InChIKey: DDXCFDOPXBPUJC-SAYMMRJXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@H](O[C@H](CO)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.2C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O
ACDLabs 12.01O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO
CACTVS 3.370OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)OC(CO)C(=O)O)O)O)O)O
Name:(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid;
2-O-ALPHA-MANNOSYL-D-GLYCERATE;
(2R)-3-hydroxy-2-(alpha-D-mannosyloxy)propanoic acid;
(2R)-3-hydroxy-2-(D-mannosyloxy)propanoic acid;
(2R)-3-hydroxy-2-(mannosyloxy)propanoic acid
ZINC: ZINC000004099160
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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