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BioLiP

PDB CCD ID: 05U
Number of entries in BioLiP: 0
Chemical formula: C9 H21 N O
InChI: InChI=1S/C9H21NO/c1-6(2)5-8(10)9(11)7(3)4/h6-9,11H,5,10H2,1-4H3/t8-,9-/m0/s1
InChIKey: LYOZUFJTWQKQAM-IUCAKERBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)CC(C(C(C)C)O)N
OpenEye OEToolkits 1.7.6CC(C)C[C@@H]([C@H](C(C)C)O)N
CACTVS 3.370CC(C)C[CH](N)[CH](O)C(C)C
CACTVS 3.370CC(C)C[C@H](N)[C@@H](O)C(C)C
Name:(3S,4S)-4-azanyl-2,6-dimethyl-heptan-3-ol
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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