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CHEBI:7804 - Otonecine

ChEBI IDCHEBI:7804
ChEBI NameOtonecine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC9H15NO3
Net Charge0
Average Mass185.223
Monoisotopic Mass185.10519
SMILESCN1C/C=C(/CO)C(=O)[C@H](O)CC1
InChIInChI=1S/C9H15NO3/c1-10-4-2-7(6-11)9(13)8(12)3-5-10/h2,8,11-12H,3-6H2,1H3/b7-2-/t8-/m1/s1
InChIKeyGRAGROPQORVALZ-VKWJFSHESA-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)
Otonecine (CHEBI:7804) is a tertiary amine (CHEBI:32876)
Synonyms  Source
1H-Pyrrolizinium, 2,3,5,7a-tetrahydro-1,7a-dihydroxy-7-(hydroxymethyl)-4-methyl-, (1R-(1alpha,4beta,7abeta))-KEGG COMPOUND
OtonecineKEGG COMPOUND
Manual XrefsDatabases
C00002103KNApSAcK
C10356KEGG COMPOUND
Registry NumbersSources
CAS:6887-34-9KEGG COMPOUND