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BioLiP

PDB CCD ID: AS1
Number of entries in BioLiP: 36
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-WDSKDSINSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCCN=C(N)N[CH](CC(O)=O)C(O)=O)C(O)=O
CACTVS 3.385N[C@@H](CCCN=C(N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(C[C@@H](C(=O)O)N)C/N=C(\N)/N[C@@H](CC(=O)O)C(=O)O
OpenEye OEToolkits 2.0.7C(CC(C(=O)O)N)CN=C(N)NC(CC(=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).
  • 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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