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BioLiP

PDB CCD ID: LOL
Number of entries in BioLiP: 0
Chemical formula: C6 H15 N O2
InChI: InChI=1S/C6H15NO2/c1-4(2)3-5(7)6(8)9/h4-6,8-9H,3,7H2,1-2H3/t5-/m0/s1
InChIKey: MUGBTWHZSATDPU-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(C)C[C@@H](C(O)O)N
CACTVS 3.370CC(C)C[C@H](N)C(O)O
ACDLabs 12.01OC(O)C(N)CC(C)C
OpenEye OEToolkits 1.7.2CC(C)CC(C(O)O)N
CACTVS 3.370CC(C)C[CH](N)C(O)O
Name:(2S)-2-amino-4-methylpentane-1,1-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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