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BioLiP

PDB CCD ID: PUW
Number of entries in BioLiP: 2
Chemical formula: C6 H15 N2 O4 P
InChI: InChI=1S/C6H15N2O4P/c7-3-1-2-4-8-6(9)5-13(10,11)12/h1-5,7H2,(H,8,9)(H2,10,11,12)
InChIKey: VJPDOEGJBRLVCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NCCCCN)CP(=O)(O)O
OpenEye OEToolkits 1.7.6C(CCNC(=O)CP(=O)(O)O)CN
CACTVS 3.370NCCCCNC(=O)C[P](O)(O)=O
Name:N-(PHOSPHONOACETYL)-PUTRESCINE
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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