SEQ2FUN

BioLiP

PDB CCD ID: DXL
Number of entries in BioLiP: 7
Chemical formula: C5 H8 O7
InChI: InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t1-,2-,3+
InChIKey: NPTTZSYLTYJCPR-FFEAPLRNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0[C@@H](C([C@@H](C(=O)O)O)O)(C(=O)O)O
CACTVS 3.370O[CH]([CH](O)C(O)=O)[CH](O)C(O)=O
CACTVS 3.370O[C@H]([C@@H](O)C(O)=O)[C@H](O)C(O)=O
ACDLabs 12.01O=C(O)C(O)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.7.0C(C(C(=O)O)O)(C(C(=O)O)O)O
Name:D-xylaric acid;
m-Xylarate
ZINC: ZINC000101604212
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).