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BioLiP

PDB CCD ID: HR7
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N4 O2
InChI: InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)
InChIKey: VNWXCGKMEWXYBP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(CC(CC(=O)O)N)CN=C(N)N
CACTVS 3.370N[CH](CCCN=C(N)N)CC(O)=O
CACTVS 3.370N[C@@H](CCCN=C(N)N)CC(O)=O
ACDLabs 12.01O=C(O)CC(N)CCC/N=C(\N)N
OpenEye OEToolkits 1.7.2C(C[C@@H](CC(=O)O)N)CN=C(N)N
Name:(3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid;
BETA-HOMOARGININE
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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