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BioLiP

PDB CCD ID: X4Y
Number of entries in BioLiP: 0
Chemical formula: C9 H18 N2 O
InChI: InChI=1S/C9H18N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h7-9,11H,1-6,10H2/t8-,9+/m0/s1
InChIKey: YFSXUMOYIHJBSI-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C2C(C1CC(N)ON1)CCCC2
OpenEye OEToolkits 2.0.7C1CCC(CC1)[C@@H]2C[C@@H](ON2)N
CACTVS 3.385N[C@H]1C[C@H](NO1)C2CCCCC2
OpenEye OEToolkits 2.0.7C1CCC(CC1)C2CC(ON2)N
CACTVS 3.385N[CH]1C[CH](NO1)C2CCCCC2
Name:(3S,5R)-3-cyclohexyl-1,2-oxazolidin-5-amine
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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