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BioLiP Library

PDB CCD ID: AS1
Number of entries in BioLiP: 26
Chemical formula: C10 H18 N4 O6
InChI: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6+/m0/s1
InChIKey: KDZOASGQNOPSCU-NTSWFWBYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]N=C(NCCCC(C(=O)O)N)NC(CC(=O)O)C(=O)O
CACTVS 3.341N[C@@H](CCCNC(=N)N[C@H](CC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(CC(=O)O)C(=O)O
ACDLabs 10.04O=C(O)C(N)CCCNC(=[N@H])NC(C(=O)O)CC(=O)O
CACTVS 3.341N[CH](CCCNC(=N)N[CH](CC(O)=O)C(O)=O)C(O)=O
Name:ARGININOSUCCINATE
DrugBank: DB02267
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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