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BioLiP Library

PDB CCD ID: C0V
Number of entries in BioLiP: 1
Chemical formula: C14 H10 O4
InChI: InChI=1S/C14H10O4/c15-12(8-13(16)14(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,16H,(H,17,18)/b13-8-
InChIKey: MXSFSJCCMVMMQM-JYRVWZFOSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2cc1ccccc1cc2C([C@H]=C(C(O)=O)O)=O
CACTVS 3.385OC(=O)C(O)=CC(=O)c1ccc2ccccc2c1
OpenEye OEToolkits 2.0.6c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O
OpenEye OEToolkits 2.0.6c1ccc2cc(ccc2c1)C(=O)C=C(C(=O)O)O
CACTVS 3.385OC(=O)\C(O)=C\C(=O)c1ccc2ccccc2c1
Name:(2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid
ZINC: ZINC000167822210
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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