CHEBI:107500 - 4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester

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ChEBI Name 4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
ChEBI ID CHEBI:107500
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H18N2O3
Net Charge 0
Average Mass 238.283
Monoisotopic Mass 238.13174
InChI InChI=1S/C12H18N2O3/c1-6-17-12(16)10-7(2)9(8(3)13-10)11(15)14(4)5/h13H,6H2,1-5H3
InChIKey CTHCFZVMGUABNT-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(C(=C(N1)C)C(=O)N(C)C)C
ChEBI Ontology
Outgoing 4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (CHEBI:107500) is a ethyl ester (CHEBI:23990)
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (CHEBI:107500) is a pyrroles (CHEBI:26455)
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (CHEBI:107500) is a tertiary carboxamide (CHEBI:140326)
Manual Xref Database
LSM-18855 LINCS
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Last Modified
07 March 2018