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BioLiP

PDB CCD ID: V2E
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N2 O4
InChI: InChI=1S/C11H12N2O4/c14-8-9-1-2-10(13(15)16)11(7-9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2
InChIKey: FAJSCBIMFMOQMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2
OpenEye OEToolkits 2.0.7c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-]
Name:3-morpholin-4-yl-4-nitro-benzaldehyde
ZINC: ZINC000095081235
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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