EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:46503 - N4-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)

ChEBI IDCHEBI:46503
ChEBI NameN4-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)
Stars
ASCII NameN(4)-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H23N4O7P
Net Charge0
Average Mass426.366
Monoisotopic Mass426.13044
SMILES[H]O[C@@]1([H])C([H])([H])[C@]([H])(n2c([H])c([H])c(N([H])C([H])([H])c3c([H])c([H])c(C([H])([H])N([H])[H])c([H])c3[H])nc2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[H]
InChIInChI=1S/C17H23N4O7P/c18-8-11-1-3-12(4-2-11)9-19-15-5-6-21(17(23)20-15)16-7-13(22)14(28-16)10-27-29(24,25)26/h1-6,13-14,16,22H,7-10,18H2,(H,19,20,23)(H2,24,25,26)/t13-,14+,16+/m0/s1
InChIKeyATPQGDDDWMERDD-SQWLQELKSA-N
ChEBI Ontology
Outgoing Relation(s)
N4-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate) (CHEBI:46503) is a 2'-deoxycytidine phosphate (CHEBI:37092)
N4-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate) (CHEBI:46503) is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate (CHEBI:36995)
Synonyms  Source
{5-[4-{[4-(AMINOMETHYL)BENZYL]AMINO}-2-OXOPYRIMIDIN-1(2H)- YL]-3-HYDROXYTETRAHYDROFURAN-2-YL}METHYL DIHYDROGEN PHOSPHATEPDBeChem
N-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)PDBeChem
Manual XrefsDatabases
XCYPDBeChem