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BioLiP

PDB CCD ID: NMH
Number of entries in BioLiP: 8
Chemical formula: C8 H17 N O
InChI: InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m1/s1
InChIKey: GFVRKPKAQHTAQK-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCC[CH](C)NC=O
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCC[C@@H](C)NC=O
ACDLabs 10.04O=CNC(CCCCC)C
OpenEye OEToolkits 1.5.0CCCCCC(C)NC=O
Name:(R)-N-(1-METHYL-HEXYL)-FORMAMIDE
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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