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CHEBI:229512 - N4-Acetylcytidine triphosphate

Default Structure
ChEBI IDCHEBI:229512
ChEBI NameN4-Acetylcytidine triphosphate
Stars
Submitterntejera
DownloadsMolfile
FormulaC11H18N3O15P3
Net Charge0
Average Mass525.193
Monoisotopic Mass524.99508
SMILESCC(=O)Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1
InChIInChI=1S/C11H18N3O15P3/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H,12,13,15,18)/t6-,8-,9-,10-/m1/s1
InChIKeyPMLKMGFNRKVFTQ-PEBGCTIMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS8090)
ChEBI Ontology
Outgoing Relation(s)
N4-Acetylcytidine triphosphate (CHEBI:229512) has functional parent N4-acetylcytidine (CHEBI:70989)
N4-Acetylcytidine triphosphate (CHEBI:229512) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[[(2R,3S,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate