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CHEBI:45945 - 5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:45945
ChEBI Name5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC9H14N3O6PS
Net Charge0
Average Mass323.267
Monoisotopic Mass323.03409
SMILES[H]O[C@@]1([H])C([H])([H])[C@]([H])(n2c([H])c([H])c(N([H])[H])nc2=O)O[C@]1([H])C([H])([H])SP(=O)(O[H])O[H]
InChIInChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-20-19(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyMECRPJIAIGIPSF-SHYZEUOFSA-N
ChEBI Ontology
Outgoing Relation(s)
5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACID (CHEBI:45945) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2'-deoxy-5'-S-phosphono-5'-thiocytidinePDBeChem
5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACIDPDBeChem
Manual XrefsDatabases
TPCPDBeChem