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BioLiP

PDB CCD ID: 1QX
Number of entries in BioLiP: 2
Chemical formula: C15 H32 N3 O3 P
InChI: InChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h2-15H2,1H3,(H,19,20)
InChIKey: AGXZEEFRFDZECI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
ACDLabs 12.01[N-]=[N+]=N\CCCP(=O)(OCCCCCCCCCCCC)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O
Name:dodecyl hydrogen (S)-(3-azidopropyl)phosphonate
ZINC: ZINC000098208011
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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