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BioLiP

PDB CCD ID: 2JJ
Number of entries in BioLiP: 3
Chemical formula: C5 H12 N O5 P
InChI: InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1
InChIKey: VOROEQBFPPIACJ-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCC[P](O)(O)=O)C(O)=O
CACTVS 3.385N[C@H](CCC[P](O)(O)=O)C(O)=O
ACDLabs 12.01O=P(O)(O)CCCC(N)C(=O)O
OpenEye OEToolkits 1.7.6C(C[C@H](C(=O)O)N)CP(=O)(O)O
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CP(=O)(O)O
Name:5-phosphono-D-norvaline
ChEMBL: CHEMBL84612
ZINC: ZINC000001854170
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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