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BioLiP

PDB CCD ID: HL6
Number of entries in BioLiP: 7
Chemical formula: C10 H17 N O3
InChI: InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey: ZJFKKPDLNLCPNP-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCC(=O)NC1CCOC1=O
CACTVS 3.370CCCCCC(=O)N[CH]1CCOC1=O
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCCCCC(=O)N[C@H]1CCOC1=O
ACDLabs 12.01O=C1OCCC1NC(=O)CCCCC
Name:N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide;
N-hexanoyl-L-homoserine lactone
ChEMBL: CHEMBL1615000
ZINC: ZINC000006655700
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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