SEQ2FUN

BioLiP

PDB CCD ID: BEM
Number of entries in BioLiP: 183
Chemical formula: C6 H10 O7
InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
InChIKey: AEMOLEFTQBMNLQ-SYJWYVCOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.341O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
Name:beta-D-mannopyranuronic acid;
beta-D-mannuronic acid;
D-mannuronic acid;
mannuronic acid;
(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
ZINC: ZINC000004095780
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).