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BioLiP

PDB CCD ID: DYJ
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O5
InChI: InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1
InChIKey: BJLIRDLXPUFPLT-XPPMVYLVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=CC(=O)C(O)=O)N1CCC[CH]1C(O)=O
CACTVS 3.385CC(=C\C(=O)C(O)=O)/N1CCC[C@H]1C(O)=O
ACDLabs 12.01O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O
OpenEye OEToolkits 1.7.6CC(=CC(=O)C(=O)O)N1CCCC1C(=O)O
OpenEye OEToolkits 1.7.6C/C(=C\C(=O)C(=O)O)/N1CCC[C@H]1C(=O)O
Name:1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline
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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