CHEBI:184018 - Adenylyl(3'-5')cytidine

ChEBI IDCHEBI:184018
ChEBI NameAdenylyl(3'-5')cytidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25N8O11P
Net Charge0
Average Mass572.428
Monoisotopic Mass572.13804
SMILESNc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@H]2O)c(=O)n1
InChIInChI=1S/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)18-13(31)14(7(3-28)36-18)38-39(33,34)35-4-8-11(29)12(30)17(37-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)/t7-,8-,11-,12-,13-,14-,17+,18-/m1/s1
InChIKeyZLVJWOGZEAIPAO-NJMNKXSSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
Adenylyl(3'-5')cytidine (CHEBI:184018) is a (3'→5')-dinucleotide (CHEBI:48637)
IUPAC Name 
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate