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BioLiP Library

PDB CCD ID: Q6P
Number of entries in BioLiP: 1
Chemical formula: C11 H26 N2 O3
InChI: InChI=1S/C11H26N2O3/c1-16-10-11(14,15)6-3-2-4-8-13-9-5-7-12/h13-15H,2-10,12H2,1H3
InChIKey: ATZSVPANUKMESL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CNCCCN)CCCC(COC)(O)O
OpenEye OEToolkits 2.0.7COCC(CCCCCNCCCN)(O)O
CACTVS 3.385COCC(O)(O)CCCCCNCCCN
Name:7-[(3-aminopropyl)amino]-1-methoxyheptane-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)(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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