CHEBI:59977 - neopentyl glycosyl pyrrole

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ChEBI Name neopentyl glycosyl pyrrole
ChEBI ID CHEBI:59977
Definition A pyrrole having neopentyl-, formyl- and 1,2,3-trihydroxypropyl groups at positions 1-, 2- and 3- respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H21NO4
Net Charge 0
Average Mass 255.31010
Monoisotopic Mass 255.14706
InChI InChI=1S/C13H21NO4/c1-13(2,3)8-14-5-4-9(10(14)6-15)12(18)11(17)7-16/h4-6,11-12,16-18H,7-8H2,1-3H3
InChIKey SCHOZSZMRGHVKQ-UHFFFAOYSA-N
SMILES CC(C)(C)Cn1ccc(C(O)C(O)CO)c1C=O
ChEBI Ontology
Outgoing neopentyl glycosyl pyrrole (CHEBI:59977) is a pyrroles (CHEBI:26455)
neopentyl glycosyl pyrrole (CHEBI:59977) is a triol (CHEBI:27136)
IUPAC Name
1-(2,2-dimethylpropyl)-3-(1,2,3-trihydroxypropyl)-1H-pyrrole-2-carbaldehyde
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Last Modified
05 August 2010