SEQ2FUN

BioLiP

PDB CCD ID: 285
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N O
InChI: InChI=1S/C6H13NO/c1-4-5(2)8-6(3)7-4/h4-7H,1-3H3/t4-,5-,6-/m1/s1
InChIKey: KGOJHIRKYWXNFA-HSUXUTPPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@@H]1N[C@H](C)[C@@H](C)O1
OpenEye OEToolkits 1.5.0CC1C(OC(N1)C)C
CACTVS 3.341C[CH]1N[CH](C)[CH](C)O1
OpenEye OEToolkits 1.5.0CC1[C@H](O[C@@H](N1)C)C
ACDLabs 10.04O1C(C)C(NC1C)C
Name:(2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine
ZINC: ZINC000016052521
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).