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BioLiP

PDB CCD ID: HPX
Number of entries in BioLiP: 8
Chemical formula: C12 H10 O4
InChI: InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8-
InChIKey: RDRDHXDYMGUCKE-KXBBGWRGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C(/O)=C/C=C/C(=O)c1ccccc1
OpenEye OEToolkits 1.7.5c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)\O
CACTVS 3.385OC(=O)C(O)=CC=CC(=O)c1ccccc1
OpenEye OEToolkits 1.7.5c1ccc(cc1)C(=O)C=CC=C(C(=O)O)O
ACDLabs 10.04O=C(\C=C\C=C(/O)C(=O)O)c1ccccc1
Name:(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
DrugBank: DB07914
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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