SEQ2FUN

BioLiP

PDB CCD ID: 3MC
Number of entries in BioLiP: 1
Chemical formula: C5 H8 N3 O
InChI: InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H2,6,7,9)/p+1
InChIKey: UPHQQDZIRIHPHU-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[N+]1=C(C=CNC1=O)N
ACDLabs 10.04O=C1[N+](=C(N)C=CN1)C
CACTVS 3.341C[N+]1=C(N)C=CNC1=O
Name:3-METHYLCYTOSINE
DrugBank: DB04103
ZINC: ZINC000100033918
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).