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BioLiP

PDB CCD ID: 37Z
Number of entries in BioLiP: 1
Chemical formula: C8 H21 N3
InChI: InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2
InChIKey: UODZHRGDSPLRMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CCNCCCCN)CN
ACDLabs 12.01
CACTVS 3.385		NCCCCNCCCCN
Name:sym-homospermidine
ChEMBL: CHEMBL36119
ZINC: ZINC000001530408
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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