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BioLiP

PDB CCD ID: 5GG
Number of entries in BioLiP: 0
Chemical formula: C10 H23 N3 O2
InChI: InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1
InChIKey: PGPFBXMCOQNMJO-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCCCNCCCC[C@H](N)C(O)=O
CACTVS 3.385NCCCCNCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.9.2C(CCNCCCCN)CC(C(=O)O)N
OpenEye OEToolkits 1.9.2C(CCNCCCCN)C[C@@H](C(=O)O)N
ACDLabs 12.01NC(C(=O)O)CCCCNCCCCN
Name:Deoxyhypusine
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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