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BioLiP Library

PDB CCD ID: 7C2
Number of entries in BioLiP: 0
Chemical formula: C12 H25 N O3
InChI: InChI=1S/C12H25NO3/c1-2-3-5-8-11(16-12(14)15)9-6-4-7-10-13/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m1/s1
InChIKey: BLHICXSRHDZESY-LLVKDONJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCC[C@H](CCCCCN)OC(=O)O
CACTVS 3.385CCCCC[C@H](CCCCCN)OC(O)=O
CACTVS 3.385CCCCC[CH](CCCCCN)OC(O)=O
ACDLabs 12.01CCCCCC(CCCCCN)OC(O)=O
OpenEye OEToolkits 2.0.6CCCCCC(CCCCCN)OC(=O)O
Name:(6R)-1-aminoundecan-6-yl hydrogen carbonate
ZINC: ZINC000584905349
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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