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BioLiP Library

PDB CCD ID: 6GR
Number of entries in BioLiP: 2
Chemical formula: C13 H16 O8
InChI: InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10-,11+,13+/m0/s1
InChIKey: TZPBMNKOLMSJPF-HKLXJQGRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O
CACTVS 3.385OC[CH]1O[CH](Oc2ccccc2C(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385OC[C@@H]1O[C@@H](Oc2ccccc2C(O)=O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
ACDLabs 12.01C2(O)C(O)C(Oc1c(C(=O)O)cccc1)OC(C2O)CO
Name:2-(alpha-L-altropyranosyloxy)benzoic acid;
2-(alpha-L-altrosyloxy)benzoic acid;
2-(L-altrosyloxy)benzoic acid;
2-(altrosyloxy)benzoic acid
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)(download the PDF file).
  • 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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