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BioLiP

PDB CCD ID: 00H
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N O4 P
InChI: InChI=1S/C11H16NO4P/c12-10(8-9-4-2-1-3-5-9)17(15,16)7-6-11(13)14/h1-5,10H,6-8,12H2,(H,13,14)(H,15,16)/t10-/m1/s1
InChIKey: CZMVVDBXWOZCRC-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@@H](Cc1ccccc1)[P](O)(=O)CCC(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@H](N)[P@@](=O)(CCC(=O)O)O
ACDLabs 12.01O=C(O)CCP(=O)(O)C(N)Cc1ccccc1
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(N)P(=O)(CCC(=O)O)O
CACTVS 3.370N[CH](Cc1ccccc1)[P](O)(=O)CCC(O)=O
Name:3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid
ZINC: ZINC000098207722
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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