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BioLiP

PDB CCD ID: YF5
Number of entries in BioLiP: 0
Chemical formula: C10 H22 N4 O5
InChI: InChI=1S/C10H22N4O5/c11-5(2-1-3-14-10(12)13)6(15)4-7(16)8(17)9(18)19/h5-8,15-17H,1-4,11H2,(H,18,19)(H4,12,13,14)/t5-,6+,7+,8-/m1/s1
InChIKey: GRIHTJROSVTQAL-VGRMVHKJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(C(CC(C(C(=O)O)O)O)O)N)CNC(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/NCCC[C@H]([C@H](C[C@@H]([C@H](C(=O)O)O)O)O)N
CACTVS 3.385N[CH](CCCNC(N)=N)[CH](O)C[CH](O)[CH](O)C(O)=O
CACTVS 3.385N[C@H](CCCNC(N)=N)[C@@H](O)C[C@H](O)[C@@H](O)C(O)=O
Name:Agmatinamic acid;
(2R,3S,5S,6R)-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid;
AGA
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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