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BioLiP

PDB CCD ID: 15L
Number of entries in BioLiP: 3
Chemical formula: C6 H8 O7
InChI: InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/m0/s1
InChIKey: YLKFQNUGXOLRNI-KXMYSMCESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O
CACTVS 3.370O[C@H]1[C@@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.7.0C1(C(C(OC(=O)C1O)C(=O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](OC(=O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(=O)C(O)C(O)C1O
Name:D-galactaro-1,5-lactone;
galactaro-1,5-lactone;
(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-oxidotetrahydro-2H-pyran-2-carboxylate
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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