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BioLiP

PDB CCD ID: 19N
Number of entries in BioLiP: 1
Chemical formula: C6 H17 N4 O3 P
InChI: InChI=1S/C6H17N4O3P/c7-5(14(11,12)13)3-1-2-4-10-6(8)9/h5H,1-4,7H2,(H4,8,9,10)(H2,11,12,13)/t5-/m1/s1
InChIKey: GAZYHWYZAQCLLA-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@@H](CCCCNC(N)=N)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(N)CCCCNC(=[N@H])N
OpenEye OEToolkits 1.7.6C(CCNC(=N)N)CC(N)P(=O)(O)O
OpenEye OEToolkits 1.7.6[H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O
CACTVS 3.370N[CH](CCCCNC(N)=N)[P](O)(O)=O
Name:[(1R)-1-amino-5-carbamimidamidopentyl]phosphonic acid
ZINC: ZINC000096927709
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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