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BioLiP

PDB CCD ID: OXP
Number of entries in BioLiP: 7
Chemical formula: C5 H6 O3
InChI: InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3H,1H3,(H,7,8)/b3-2-
InChIKey: IWARWSDDJHGZOW-IHWYPQMZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C\C=C/C(=O)C(O)=O
CACTVS 3.341CC=CC(=O)C(O)=O
ACDLabs 10.04O=C(\C=C/C)C(=O)O
OpenEye OEToolkits 1.5.0C\C=C/C(=O)C(=O)O
OpenEye OEToolkits 1.5.0CC=CC(=O)C(=O)O
Name:2-OXO-3-PENTENOIC ACID
DrugBank: DB02005
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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