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BioLiP

PDB CCD ID: 27W
Number of entries in BioLiP: 0
Chemical formula: C10 H23 N O
InChI: InChI=1S/C10H23NO/c1-5-8(4)10(12)9(11)6-7(2)3/h7-10,12H,5-6,11H2,1-4H3/t8-,9+,10+/m1/s1
InChIKey: QINOKVMKRSAUFS-UTLUCORTSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[CH](C)[CH](O)[CH](N)CC(C)C
OpenEye OEToolkits 1.7.6CCC(C)C(C(CC(C)C)N)O
OpenEye OEToolkits 1.7.6CC[C@@H](C)[C@@H]([C@H](CC(C)C)N)O
CACTVS 3.385CC[C@@H](C)[C@H](O)[C@@H](N)CC(C)C
ACDLabs 12.01OC(C(CC)C)C(N)CC(C)C
Name:(3R,4S,5S)-5-amino-3,7-dimethyloctan-4-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)(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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