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BioLiP Library

PDB CCD ID: AR7
Number of entries in BioLiP: 0
Chemical formula: C6 H17 N4 O2
InChI: InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4-5,11-12H,1-3,7H2,(H4,8,9,10)/p+1/t4-/m0/s1
InChIKey: GJQTZIGWTNAHJO-BYPYZUCNSA-O
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](CCCNC(N)=[NH2+])C(O)O
ACDLabs 12.01OC(O)C(N)CCCN\C(=[NH2+])N
CACTVS 3.370N[C@@H](CCCNC(N)=[NH2+])C(O)O
OpenEye OEToolkits 1.7.0C(CC(C(O)O)N)CNC(=[NH2+])N
OpenEye OEToolkits 1.7.0C(C[C@@H](C(O)O)N)CNC(=[NH2+])N
Name:amino{[(4S)-4-amino-5,5-dihydroxypentyl]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)(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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