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BioLiP Library

PDB CCD ID: CIN
Number of entries in BioLiP: 2
Chemical formula: C10 H8 O4
InChI: InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+
InChIKey: HAEJSGLKJYIYTB-ZZXKWVIFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\C(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1C=CC(=O)O)C(=O)O
CACTVS 3.341OC(=O)/C=C/c1ccc(cc1)C(O)=O
CACTVS 3.341OC(=O)C=Cc1ccc(cc1)C(O)=O
ACDLabs 10.04O=C(O)c1ccc(\C=C\C(=O)O)cc1
Name:4-CARBOXYCINNAMIC ACID
DrugBank: DB02126
ZINC: ZINC000000074762
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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