CHEBI:230658 - 6-amino-2-methyl-2-heptanyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetate

ChEBI IDCHEBI:230658
ChEBI Name6-amino-2-methyl-2-heptanyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27N5O4
Net Charge0
Average Mass365.434
Monoisotopic Mass365.20630
SMILESCC(N)CCCC(C)(C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H27N5O4/c1-11(18)7-6-8-17(2,3)26-12(23)9-22-10-19-14-13(22)15(24)21(5)16(25)20(14)4/h10-11H,6-9,18H2,1-5H3
InChIKeyVYQJFIGMSSIWAR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
6-amino-2-methyl-2-heptanyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetate (CHEBI:230658) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(6-amino-2-methylheptan-2-yl) 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Manual XrefsDatabases
30791481ChemSpider
D08037KEGG DRUG