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BioLiP

PDB CCD ID: OAR
Number of entries in BioLiP: 0
Chemical formula: C6 H16 N4 O
InChI: InChI=1S/C6H16N4O/c7-5(4-11)2-1-3-10-6(8)9/h5,11H,1-4,7H2,(H4,8,9,10)/t5-/m0/s1
InChIKey: UFAABHKZLQFLSG-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CC(CO)N)CNC(=N)N
CACTVS 3.370N[CH](CO)CCCNC(N)=N
OpenEye OEToolkits 1.7.6[H]/N=C(/N)\NCCC[C@@H](CO)N
ACDLabs 12.01[N@H]=C(NCCCC(N)CO)N
CACTVS 3.370N[C@H](CO)CCCNC(N)=N
Name:N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE
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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