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CHEBI:187525 - DMABA-d4 NHS ester

ChEBI IDCHEBI:187525
ChEBI NameDMABA-d4 NHS ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H10D4N2O4
Net Charge0
Average Mass266.289
Monoisotopic Mass266.12046
SMILES[2H]c1c([2H])c(N(C)C)c([2H])c([2H])c1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H14N2O4/c1-14(2)10-5-3-9(4-6-10)13(18)19-15-11(16)7-8-12(15)17/h3-6H,7-8H2,1-2H3/i3D,4D,5D,6D
InChIKeyFNGFZOAQGYOQTG-LNFUJOGGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
DMABA-d4 NHS ester (CHEBI:187525) is a aminobenzoic acid (CHEBI:22495)
IUPAC Name 
(2,5-dioxopyrrolidin-1-yl) 2,3,5,6-tetradeuterio-4-(dimethylamino)benzoate
Manual XrefsDatabases
29341826ChemSpider