SEQ2FUN

BioLiP

PDB CCD ID: DG0
Number of entries in BioLiP: 0
Chemical formula: C12 H18 O13
InChI: InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11-,12-/m0/s1
InChIKey: IGSYEZFZPOZFNC-MMGXBETBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)O)O)O)C(=O)O)O)O
CACTVS 3.352O[CH]1O[CH]([CH](O[CH]2O[CH]([CH](O)[CH](O)[CH]2O)C(O)=O)[CH](O)[CH]1O)C(O)=O
ACDLabs 11.02O=C(O)C2OC(O)C(O)C(O)C2OC1OC(C(=O)O)C(O)C(O)C1O
OpenEye OEToolkits 1.7.0[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)O)O)C(=O)O)O)O
CACTVS 3.352O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O
Name:4-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranuronic acid;
DIGALACTURONIC ACID
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).