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BioLiP

PDB CCD ID: Y77
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N3 O4 P
InChI: InChI=1S/C6H13N3O4P/c1-6(2-4-8-9-7)3-5-13-14(10,11)12/h3,7H,2,4-5H2,1H3,(H2,10,11,12)/b6-3-
InChIKey: SCRLLCVSAUXFQL-UTCJRWHESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C/C(=C/COP(=O)(O)O)/CCN=[N]=N
OpenEye OEToolkits 2.0.7CC(=CCOP(=O)(O)O)CCN=[N]=N
CACTVS 3.385C\C(CCN=[N]=N)=C\CO[P](O)(O)=O
CACTVS 3.385CC(CCN=[N]=N)=CCO[P](O)(O)=O
Name:[(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate
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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