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BioLiP

PDB CCD ID: TGU
Number of entries in BioLiP: 0
Chemical formula: C18 H26 O19
InChI: InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31)/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16-,17+,18-/m0/s1
InChIKey: LCLHHZYHLXDRQG-ZZHDOSMQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)OC3C(C(C(OC3C(=O)O)O)O)O)O)O)C(=O)O)O)O
CACTVS 3.385O[CH]1O[CH]([CH](O[CH]2O[CH]([CH](O[CH]3O[CH]([CH](O)[CH](O)[CH]3O)C(O)=O)[CH](O)[CH]2O)C(O)=O)[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.7.6[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O)O)O
ACDLabs 12.01C1(C(C(C(C(C(=O)O)O1)OC2C(C(C(C(C(O)=O)O2)OC3C(C(C(C(C(O)=O)O3)O)O)O)O)O)O)O)O
Name:TRIGALACTURONIC 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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