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BioLiP

PDB CCD ID: V9M
Number of entries in BioLiP: 0
Chemical formula: C15 H32 N O2
InChI: InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1
InChIKey: OJDKVOGMPHTYGS-STQMWFEESA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H](CC[NH+](C)[C@@H](C(C)C)C(=O)O)CC(C)(C)C
CACTVS 3.385CC(C)[CH]([NH+](C)CC[CH](C)CC(C)(C)C)C(O)=O
CACTVS 3.385CC(C)[C@H]([NH+](C)CC[C@H](C)CC(C)(C)C)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)C(C(=O)O)[NH+](C)CCC(C)CC(C)(C)C
ACDLabs 12.01C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O
Name:(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
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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