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BioLiP

PDB CCD ID: P4E
Number of entries in BioLiP: 0
Chemical formula: C11 H13 N O2
InChI: InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
InChIKey: MCGSKGBMVBECNS-QBBOHKLWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(cc1)C=CCC(C(=O)O)N
CACTVS 3.370N[C@@H](C\C=C\c1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.2c1ccc(cc1)C=CC[C@@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)C/C=C/c1ccccc1
CACTVS 3.370N[CH](CC=Cc1ccccc1)C(O)=O
Name:(2S,4E)-2-amino-5-phenylpent-4-enoic acid
ZINC: ZINC000002385776

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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