SEQ2FUN

BioLiP

PDB CCD ID: MVH
Number of entries in BioLiP: 2
Chemical formula: C6 H12 N O5 P
InChI: InChI=1S/C6H12NO5P/c1-5(4-6(8)7-2)12-13(9,10)11-3/h4H,1-3H3,(H,7,8)(H,9,10)/b5-4+
InChIKey: SBZAFHSOQLENTI-SNAWJCMRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=CC(=O)NC)OP(=O)(O)OC
CACTVS 3.370CNC(=O)C=C(C)O[P](O)(=O)OC
ACDLabs 12.01O=P(OC)(O\C(=C/C(=O)NC)C)O
CACTVS 3.370CNC(=O)/C=C(C)/O[P](O)(=O)OC
Name:methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate
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).