SEQ2FUN

BioLiP

PDB CCD ID: KFN
Number of entries in BioLiP: 8
Chemical formula: C9 H14 O8
InChI: InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1
InChIKey: IZHMZNLAOQHCDZ-LRGKAINGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1C1=C(OC(C(C1O)O)C(C(CO)O)O)C(=O)O
CACTVS 3.352OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.6.1C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O
CACTVS 3.352OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
Name:2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid;
(4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
ZINC: ZINC000044167182
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).