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CHEBI:166821 - 3'-deoxy-3',4'-didehydro-CTP(4−)

ChEBI IDCHEBI:166821
ChEBI Name3'-deoxy-3',4'-didehydro-CTP(4−)
Stars
ASCII Name3'-deoxy-3',4'-didehydro-CTP(4-)
Last Modified8 March 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H10N3O13P3
Net Charge-4
Average Mass461.109
Monoisotopic Mass460.94484
SMILESNc1ccn([C@@H]2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])=C[C@H]2O)c(=O)n1
InChIInChI=1S/C9H14N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-3,6,8,13H,4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/p-4/t6-,8-/m1/s1
InChIKeyDGUQXKKDZHTKIE-HTRCEHHLSA-J
ChEBI Ontology
Outgoing Relation(s)
3'-deoxy-3',4'-didehydro-CTP(4−) (CHEBI:166821) has functional parent CTP (CHEBI:17677)
3'-deoxy-3',4'-didehydro-CTP(4−) (CHEBI:166821) is a organophosphate oxoanion (CHEBI:58945)
3'-deoxy-3',4'-didehydro-CTP(4−) (CHEBI:166821) is conjugate base of 3'-deoxy-3',4'-didehydro-CTP (CHEBI:156336)
Incoming Relation(s)
3'-deoxy-3',4'-didehydro-CTP (CHEBI:156336) is conjugate acid of 3'-deoxy-3',4'-didehydro-CTP(4−) (CHEBI:166821)
IUPAC Name 
({[(4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-4,5-dihydrofuran-2-yl]methylphosphonato}oxy)(phosphonatooxy)phosphinate
Synonyms  Source
ddhCTP(4−)ChEBI
3'-deoxy-3',4'-didehydro-CTP tetranionChEBI
ddh-CTP tetraanionChEBI
ddhCTP tetraanionChEBI
ddh-CTP(4−)ChEBI
UniProt Name  Source
3'-deoxy-3',4'-didehydro-CTPUniProt
Citations