EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229529 - N-Benzoyl-2'-deoxycytidine

ChEBI IDCHEBI:229529
ChEBI NameN-Benzoyl-2'-deoxycytidine
Stars
Submitterntejera
DownloadsMolfile
FormulaC16H17N3O5
Net Charge0
Average Mass331.328
Monoisotopic Mass331.11682
SMILESO=C(Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n1)c1ccccc1
InChIInChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)/t11-,12+,14+/m1/s1
InChIKeyMPSJHJFNKMUKCN-DYEKYZERSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS8090)
ChEBI Ontology
Outgoing Relation(s)
N-Benzoyl-2'-deoxycytidine (CHEBI:229529) has functional parent 2'-deoxycytidine (CHEBI:15698)
N-Benzoyl-2'-deoxycytidine (CHEBI:229529) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
N-[1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide