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BioLiP

PDB CCD ID: 0AB
Number of entries in BioLiP: 0
Chemical formula: C6 H9 N O2
InChI: InChI=1S/C6H9NO2/c1-4-2-3-9-6(8)5(4)7/h2-5H,7H2,1H3/t4-,5-/m0/s1
InChIKey: SBDJAXOULWQEQY-WHFBIAKZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C=COC(=O)C1N
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[C@H]1C=COC(=O)[C@H]1N
CACTVS 3.341C[CH]1C=COC(=O)[CH]1N
ACDLabs 10.04O=C1OC=CC(C)C1N
Name:(3S,4S)-3-amino-4-methyl-3,4-dihydro-2H-pyran-2-one
ZINC: ZINC000058632658
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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