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BioLiP

PDB CCD ID: HL4
Number of entries in BioLiP: 11
Chemical formula: C8 H13 N O3
InChI: InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKey: VFFNZZXXTGXBOG-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCCC(=O)N[C@H]1CCOC1=O
OpenEye OEToolkits 1.7.0CCCC(=O)NC1CCOC1=O
ACDLabs 12.01O=C1OCCC1NC(=O)CCC
CACTVS 3.370CCCC(=O)N[CH]1CCOC1=O
Name:N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide;
N-butyryl-L-homoserine lactone
ChEMBL: CHEMBL207316
ZINC: ZINC000004102230
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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