EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189519 - 1,4:3,6-dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-[(methoxyacetyl)amino]-l-iditol

ChEBI IDCHEBI:189519
ChEBI Name1,4:3,6-dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-[(methoxyacetyl)amino]-l-iditol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21FN4O4
Net Charge0
Average Mass388.399
Monoisotopic Mass388.15468
SMILES[H][C@]12OC[C@H](Nc3nccc(-c4cccc(F)c4)n3)[C@@]1([H])OC[C@@H]2NC(=O)COC
InChIInChI=1S/C19H21FN4O4/c1-26-10-16(25)22-14-8-27-18-15(9-28-17(14)18)24-19-21-6-5-13(23-19)11-3-2-4-12(20)7-11/h2-7,14-15,17-18H,8-10H2,1H3,(H,22,25)(H,21,23,24)/t14-,15-,17+,18+/m0/s1
InChIKeyLFACFSSFPGPXLQ-CWLKWCNXSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
1,4:3,6-dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-[(methoxyacetyl)amino]-l-iditol (CHEBI:189519) is a pyrimidines (CHEBI:39447)
IUPAC Name 
N-[(3S,3aR,6S,6aR)-3-[[4-(3-luorophenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrouro[3,2-b]uran-6-yl]-2-methoxyacetamide
Manual XrefsDatabases
10087674ChemSpider