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BioLiP

PDB CCD ID: F95
Number of entries in BioLiP: 3
Chemical formula: C11 H8 O6
InChI: InChI=1S/C11H8O6/c12-7-2-1-6-5(3-8(13)14)4-9(15)17-11(6)10(7)16/h1-2,4,12,16H,3H2,(H,13,14)
InChIKey: LNRFNPKOQGRTFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CC=1c2c(OC(=O)C=1)c(O)c(O)cc2
OpenEye OEToolkits 1.7.6c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O
CACTVS 3.370OC(=O)CC1=CC(=O)Oc2c(O)c(O)ccc12
Name:(7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid
ZINC: ZINC000001237931
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).
  • 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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