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BioLiP

PDB CCD ID: TOM
Number of entries in BioLiP: 1
Chemical formula: C11 H10 O4
InChI: InChI=1S/C11H10O4/c1-15-10-5-3-2-4-8(10)6-7-9(12)11(13)14/h2-7H,1H3,(H,13,14)/b7-6-
InChIKey: QGTBUESLYPYXRT-SREVYHEPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1ccccc1\C=C/C(=O)C(O)=O
OpenEye OEToolkits 1.5.0COc1ccccc1C=CC(=O)C(=O)O
CACTVS 3.341COc1ccccc1C=CC(=O)C(O)=O
ACDLabs 10.04O=C(O)C(=O)/C=C\c1ccccc1OC
Name:4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID
DrugBank: DB08637
ZINC: ZINC000053683259
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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