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BioLiP

PDB CCD ID: 4J5
Number of entries in BioLiP: 0
Chemical formula: C5 H13 N4 O2
InChI: InChI=1S/C5H12N4O2/c6-3(4(10)11)1-2-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1
InChIKey: IFPQOXNWLSRZKX-VKHMYHEASA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CNC(=[NH2+])N)C(C(=O)O)N
CACTVS 3.385N[C@@H](CCNC(N)=[NH2+])C(O)=O
ACDLabs 12.01OC(=O)C(N)CCNC(=[N@H2+])N
CACTVS 3.385N[CH](CCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.7.6C(CNC(=[NH2+])N)[C@@H](C(=O)O)N
Name:amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium
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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