EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230827 - (2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid

Default Structure
ChEBI IDCHEBI:230827
ChEBI Name(2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20N2O4S
Net Charge0
Average Mass312.391
Monoisotopic Mass312.11438
SMILESCSCCC(N)C(=O)Oc1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4S/c1-21-7-6-11(15)14(19)20-10-4-2-9(3-5-10)8-12(16)13(17)18/h2-5,11-12H,6-8,15-16H2,1H3,(H,17,18)
InChIKeyXRZBAXVZOYJCGR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid (CHEBI:230827) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-amino-3-[4-(2-amino-4-methylsulanylbutanoyl)oxyphenyl]propanoic acid
Manual XrefsDatabases
HMDB0257727HMDB