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CHEBI:91226 - hexahomomethionine S-oxide

ChEBI IDCHEBI:91226
ChEBI Namehexahomomethionine S-oxide
Stars
ASCII Namehexahomomethionine S-oxide
DefinitionA sulfur-containing amino acid that is the sulfoxide obtained by formal oxygenation of the sulfur atom of hexahomomethionine.
Last Modified26 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC11H23NO3S
Net Charge0
Average Mass249.376
Monoisotopic Mass249.13986
SMILESCS(=O)CCCCCCCCC(N)C(=O)O
InChIInChI=1S/C11H23NO3S/c1-16(15)9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyQRXRWDDFTQIZAV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) MetaboLights (MTBLS160)
root (BTO:0001188) PubMed (25457500)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
hexahomomethionine S-oxide (CHEBI:91226) has functional parent hexahomomethionine (CHEBI:50714)
hexahomomethionine S-oxide (CHEBI:91226) has role plant metabolite (CHEBI:76924)
hexahomomethionine S-oxide (CHEBI:91226) is a non-proteinogenic α-amino acid (CHEBI:83925)
hexahomomethionine S-oxide (CHEBI:91226) is a sulfoxide (CHEBI:22063)
hexahomomethionine S-oxide (CHEBI:91226) is a sulfur-containing amino acid (CHEBI:26834)
IUPAC Name 
2-amino-10-(methanesulfinyl)decanoic acid
Synonyms  Source
hexahomo-Met S-oxideChEBI
2-amino-10-(methylsulfinyl)decanoic acidChEBI
Registry NumbersSources
Reaxys:28063957Reaxys
Citations