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BioLiP

PDB CCD ID: Q6M
Number of entries in BioLiP: 1
Chemical formula: C10 H24 N2 O2
InChI: InChI=1S/C10H24N2O2/c1-10(13,14)6-3-2-4-8-12-9-5-7-11/h12-14H,2-9,11H2,1H3
InChIKey: VZPARMKCSXRGQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(O)(O)CCCCCNCCCN
OpenEye OEToolkits 2.0.7CC(CCCCCNCCCN)(O)O
ACDLabs 12.01C(NCCCCCC(C)(O)O)CCN
Name:7-[(3-aminopropyl)amino]heptane-2,2-diol
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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