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BioLiP

PDB CCD ID: Q08
Number of entries in BioLiP: 2
Chemical formula: C8 H20 N O3 P
InChI: InChI=1S/C8H20NO3P/c1-3-5-7(6-4-2)8(9)13(10,11)12/h7-8H,3-6,9H2,1-2H3,(H2,10,11,12)/t8-/m1/s1
InChIKey: PERCJHHIZBJKQX-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCC(CCC)[C@H](N)P(=O)(O)O
CACTVS 3.385CCCC(CCC)[C@H](N)[P](O)(O)=O
CACTVS 3.385CCCC(CCC)[CH](N)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(N)C(CCC)CCC
OpenEye OEToolkits 1.9.2CCCC(CCC)C(N)P(=O)(O)O
Name:[(1R)-1-amino-2-propylpentyl]phosphonic acid
ZINC: ZINC000035962600
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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