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BioLiP

PDB CCD ID: 0TK
Number of entries in BioLiP: 1
Chemical formula: C5 H13 N2 O5 P
InChI: InChI=1S/C5H13N2O5P/c6-3-1-2-4(7)5(8)12-13(9,10)11/h4H,1-3,6-7H2,(H2,9,10,11)/t4-/m1/s1
InChIKey: MNDHJWIHMSHXOW-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCCC[C@@H](N)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.6C(CC(C(=O)OP(=O)(O)O)N)CN
CACTVS 3.370NCCC[CH](N)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.6C(C[C@H](C(=O)OP(=O)(O)O)N)CN
ACDLabs 12.01O=P(OC(=O)C(N)CCCN)(O)O
Name:(2R)-2,5-diaminopentanoyl dihydrogen phosphate;
phosphorylated D-ornithine
ZINC: ZINC000098207867
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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