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BioLiP

PDB CCD ID: CDG
Number of entries in BioLiP: 4
Chemical formula: C10 H16 O8
InChI: InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1
InChIKey: ZDZVLEQWFATHTF-IJWOWSJNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(OCC2C(O1)C(C(C(O2)OC)O)O)C(=O)O
CACTVS 3.341CO[C@@H]1O[C@@H]2CO[C@](C)(O[C@@H]2[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O
CACTVS 3.341CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1(OCC2OC(OC)C(O)C(O)C2O1)C
Name:METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE
DrugBank: DB01651
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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