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BioLiP

PDB CCD ID: Q03
Number of entries in BioLiP: 1
Chemical formula: C7 H16 N O3 P
InChI: InChI=1S/C7H16NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H2,9,10,11)/t7-/m1/s1
InChIKey: OOGDWWCJEPHBDQ-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CCC(CC1)[C@H](N)P(=O)(O)O
OpenEye OEToolkits 1.9.2C1CCC(CC1)C(N)P(=O)(O)O
CACTVS 3.385N[CH](C1CCCCC1)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(N)C1CCCCC1
CACTVS 3.385N[C@@H](C1CCCCC1)[P](O)(O)=O
Name:[(R)-amino(cyclohexyl)methyl]phosphonic acid
ChEMBL: CHEMBL1673067
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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