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BioLiP

PDB CCD ID: 0JT
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-5(2)6(8)3-4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKey: HYYFSIISRIDZPM-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)C(CCC(=O)O)N
CACTVS 3.370CC(C)[C@H](N)CCC(O)=O
OpenEye OEToolkits 1.7.6CC(C)[C@@H](CCC(=O)O)N
CACTVS 3.370CC(C)[CH](N)CCC(O)=O
ACDLabs 12.01O=C(O)CCC(N)C(C)C
Name:(4R)-4-amino-5-methylhexanoic acid
ZINC: ZINC000026441384
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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