EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229101 - Desmodilactone

ChEBI IDCHEBI:229101
ChEBI NameDesmodilactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H13NO3
Net Charge0
Average Mass171.196
Monoisotopic Mass171.08954
SMILESCC(=O)N[C@H]1C(=O)O[C@H](C)[C@@H]1C
InChIInChI=1S/C8H13NO3/c1-4-5(2)12-8(11)7(4)9-6(3)10/h4-5,7H,1-3H3,(H,9,10)/t4-,5+,7+/m0/s1
InChIKeyZPMSJPDTFABBSV-HBPOCXIASA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Desmodilactone (CHEBI:229101) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
N-[(3R,4R,5R)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide
Manual XrefsDatabases
166333ChemSpider