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CHEBI:156331 - 3'-deoxy-3',4'-didehydro-cytidine

ChEBI IDCHEBI:156331
ChEBI Name3'-deoxy-3',4'-didehydro-cytidine
Stars
DefinitionA pyrimidine 3'-deoxyribonucleoside that is cytidine in which the hydroxy group at position 3' is replaced by a hydrogen and a double bond is introduced between positions 3' and 4'. It is a metabolite of 3'-deoxy-3',4'-didehydro-CTP.
Last Modified19 May 2022
Submittermwilliams
DownloadsMolfile
FormulaC9H11N3O4
Net Charge0
Average Mass225.204
Monoisotopic Mass225.07496
SMILESNc1ccn([C@@H]2OC(CO)=C[C@H]2O)c(=O)n1
InChIInChI=1S/C9H11N3O4/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(4-13)16-8/h1-3,6,8,13-14H,4H2,(H2,10,11,15)/t6-,8-/m1/s1
InChIKeyVQMYKNBUURJYAP-HTRCEHHLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133blood serum) PubMed (35128501)
Roles Classification
Biological Roles:
protein synthesis inhibitor  A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein.
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor  A DNA polymerase inhibitor that interferes with the action of a RNA-directed RNA polymerase (EC 2.7.7.48).
antiviral agent  A substance that destroys or inhibits replication of viruses.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
3'-deoxy-3',4'-didehydro-cytidine (CHEBI:156331) has functional parent cytidine (CHEBI:17562)
3'-deoxy-3',4'-didehydro-cytidine (CHEBI:156331) has role antiviral agent (CHEBI:22587)
3'-deoxy-3',4'-didehydro-cytidine (CHEBI:156331) has role EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor (CHEBI:170010)
3'-deoxy-3',4'-didehydro-cytidine (CHEBI:156331) has role human blood serum metabolite (CHEBI:85234)
3'-deoxy-3',4'-didehydro-cytidine (CHEBI:156331) has role protein synthesis inhibitor (CHEBI:48001)
3'-deoxy-3',4'-didehydro-cytidine (CHEBI:156331) is a pyrimidine 3'-deoxyribonucleoside (CHEBI:191947)
3'-deoxy-3',4'-didehydro-cytidine (CHEBI:156331) is a pyrimidone (CHEBI:38337)
Incoming Relation(s)
3'-deoxy-3',4'-didehydro-CTP (CHEBI:156336) has functional parent 3'-deoxy-3',4'-didehydro-cytidine (CHEBI:156331)
IUPAC Name 
4-amino-1-[(2R,3R)-3-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2(1H)-one
Synonyms  Source
ddh-cytidineSUBMITTER
4-amino-1-[(2R,3R)-3-hydroxy-5-(hydroxymethyl)-2,3-dihydro-2-furanyl]-2(1H)-pyrimidinoneChEBI
4-amino-1-[(2R,3R)-3-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-oneSUBMITTER
4-amino-1-[(2R,3R)-3-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-2-pyrimidinoneSUBMITTER
4-amino-1-[(2R,3R)-3-hydroxy-5-methylol-2,3-dihydrofuran-2-yl]pyrimidin-2-oneSUBMITTER
3',4'-didehydro-3'-deoxycytidineSUBMITTER
Manual XrefsDatabases
7989048ChemSpider
Citations