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BioLiP

PDB CCD ID: 70H
Number of entries in BioLiP: 1
Chemical formula: C15 H14 O2
InChI: InChI=1S/C15H14O2/c1-11-5-2-6-12-7-3-8-13(15(11)12)9-4-10-14(16)17/h2-9H,10H2,1H3,(H,16,17)/b9-4+
InChIKey: FALDQPGQWAZNKV-RUDMXATFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1cccc2c1c(ccc2)C=CCC(=O)O
CACTVS 3.385Cc1cccc2cccc(\C=C\CC(O)=O)c12
OpenEye OEToolkits 2.0.5Cc1cccc2c1c(ccc2)/C=C/CC(=O)O
CACTVS 3.385Cc1cccc2cccc(C=CCC(O)=O)c12
ACDLabs 12.01[C@H](CC(O)=O)=Cc2c1c(C)cccc1ccc2
Name:(3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid
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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