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BioLiP

PDB CCD ID: PA9
Number of entries in BioLiP: 4
Chemical formula: C9 H17 N2 O7 P
InChI: InChI=1S/C9H17N2O7P/c1-6(12)11-7(9(14)15)3-2-4-10-8(13)5-19(16,17)18/h7H,2-5H2,1H3,(H,10,13)(H,11,12)(H,14,15)(H2,16,17,18)/t7-/m0/s1
InChIKey: KUGZSRGMHASJIM-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC(CCCNC(=O)CP(=O)(O)O)C(=O)O
ACDLabs 10.04O=C(NCCCC(C(=O)O)NC(=O)C)CP(=O)(O)O
CACTVS 3.341CC(=O)N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O
CACTVS 3.341CC(=O)N[C@@H](CCCNC(=O)C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O
Name:N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine
ZINC: ZINC000058638599
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)(download the PDF file).
  • 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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