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BioLiP

PDB CCD ID: LFC
Number of entries in BioLiP: 3
Chemical formula: C6 H12 O6
InChI: InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m0/s1
InChIKey: NBFWIISVIFCMDK-RSJOWCBRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(C(C(C(=O)O)O)O)O)O
CACTVS 3.341C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O
ACDLabs 10.04O=C(O)C(O)C(O)C(O)C(O)C
Name:6-deoxy-L-galactonic acid
ZINC: ZINC000000901090
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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