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CHEBI:5339 - Gerrardine

ChEBI IDCHEBI:5339
ChEBI NameGerrardine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H19NO2S4
Net Charge0
Average Mass325.546
Monoisotopic Mass325.02986
SMILES[H][C@]1([C@]2([H])SSC[C@@H]2O)CC[C@]([H])([C@]2([H])SSC[C@@H]2O)N1C
InChIInChI=1S/C11H19NO2S4/c1-12-6(10-8(13)4-15-17-10)2-3-7(12)11-9(14)5-16-18-11/h6-11,13-14H,2-5H2,1H3/t6-,7-,8+,9+,10+,11+/m1/s1
InChIKeyBEZBZIDWLUURMB-VCACHIOZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gerrardine (CHEBI:5339) is a N-alkylpyrrolidine (CHEBI:46775)
Synonym  Source
GerrardineKEGG COMPOUND
Manual XrefsDatabases
C10147KEGG COMPOUND
C00002041KNApSAcK
Registry NumbersSources
CAS:14022-19-6KEGG COMPOUND