CHEBI:191065 - Anhydroecgonine methyl ester

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Anhydroecgonine methyl ester
ChEBI ID CHEBI:191065
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H15NO2
Net Charge 0
Average Mass 181.235
Monoisotopic Mass 181.11028
InChI InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1
InChIKey MPSNEAHFGOEKBI-VXNVDRBHSA-N
SMILES O(C(=O)C=1[C@@]2(N([C@@](CC2)(CC1)[H])C)[H])C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Anhydroecgonine methyl ester (CHEBI:191065) is a N-alkylpyrrolidine (CHEBI:46775)
IUPAC Name
methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
Manual Xref Database
106705 ChemSpider
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Registry Number Type Source
43021-26-7 CAS Registry Number ChemIDplus