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CHEBI:88414 - (S)-2-methylbutanal

ChEBI IDCHEBI:88414
ChEBI Name(S)-2-methylbutanal
Stars
ASCII Name(S)-2-methylbutanal
DefinitionA 2-methylbutanal that has S configuration.
Last Modified1 March 2017
DownloadsMolfile
FormulaC5H10O
Net Charge0
Average Mass86.134
Monoisotopic Mass86.07316
SMILES[H]C(=O)[C@@H](C)CC
InChIInChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyBYGQBDHUGHBGMD-YFKPBYRVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (17314143)
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
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)
(S)-2-methylbutanal (CHEBI:88414) is a 2-methylbutanal (CHEBI:16182)
Incoming Relation(s)
(1E,2S)-2-methylbutanal oxime (CHEBI:134628) has functional parent (S)-2-methylbutanal (CHEBI:88414)
(1Z,2S)-2-methylbutanal oxime (CHEBI:134629) has functional parent (S)-2-methylbutanal (CHEBI:88414)
IUPAC Name 
(2S)-2-methylbutanal
Synonyms  Source
(2S)-2-methylbutyraldehydeChEBI
(2S)-2-methylbutyric aldehydeChEBI
(S)-2-methylbutyraldehydeChEBI
(S)-2-methylbutyric aldehydeChEBI
(S)-α-methylbutyric aldehydeChEBI
Manual XrefsDatabases
HMDB0031525HMDB
Citations