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BioLiP

PDB CCD ID: R0M
Number of entries in BioLiP: 0
Chemical formula: C7 H10 O2
InChI: InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H,8,9)/b4-3+,6-5+
InChIKey: GYTGOLDQGRPDNF-VNKDHWASSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC=CC=CC(=O)O
CACTVS 3.385CC/C=C/C=C/C(O)=O
OpenEye OEToolkits 2.0.7CC/C=C/C=C/C(=O)O
CACTVS 3.385CCC=CC=CC(O)=O
ACDLabs 12.01[C@H](\C=C\CC)=[C@H]C(=O)O
Name:(2E,4E)-hepta-2,4-dienoic acid
ZINC: ZINC000002018107
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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