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BioLiP

PDB CCD ID: 2MJ
Number of entries in BioLiP: 0
Chemical formula: C7 H17 N O2
InChI: InChI=1S/C7H17NO2/c1-5(2)3-6(8)7(10)4-9/h5-7,9-10H,3-4,8H2,1-2H3/t6-,7-/m0/s1
InChIKey: OMCIQBXZJIKYIY-BQBZGAKWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)C[C@@H]([C@H](CO)O)N
CACTVS 3.385CC(C)C[C@H](N)[C@@H](O)CO
ACDLabs 12.01OCC(O)C(N)CC(C)C
OpenEye OEToolkits 1.7.6CC(C)CC(C(CO)O)N
CACTVS 3.385CC(C)C[CH](N)[CH](O)CO
Name:(2R,3S)-3-amino-5-methylhexane-1,2-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).
  • 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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