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BioLiP

PDB CCD ID: 02F
Number of entries in BioLiP: 0
Chemical formula: C5 H14 N O4 P
InChI: InChI=1S/C5H14NO4P/c1-10-4-2-3-5(6)11(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m0/s1
InChIKey: PXJTVTLKYWDWLN-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COCCC[C@@H](N)P(=O)(O)O
CACTVS 3.370COCCC[CH](N)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(N)CCCOC
OpenEye OEToolkits 1.7.0COCCCC(N)P(=O)(O)O
CACTVS 3.370COCCC[C@@H](N)[P](O)(O)=O
Name:[(1S)-1-amino-4-methoxybutyl]phosphonic acid
ZINC: ZINC000098207743
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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