EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217259 - (+)-(S)-Dihydroaeruginoic acid

ChEBI IDCHEBI:217259
ChEBI Name(+)-(S)-Dihydroaeruginoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H9NO3S
Net Charge0
Average Mass223.253
Monoisotopic Mass223.03031
SMILESO=C(O)[C@H]1CSC(c2ccccc2O)=N1
InChIInChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1
InChIKeyCECDPVOEINSAQG-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Zymoseptoria tritici (ncbitaxon:1047171) - DOI (10.1021/np50111a002)
ChEBI Ontology
Outgoing Relation(s)
(+)-(S)-Dihydroaeruginoic acid (CHEBI:217259) has functional parent α-amino acid (CHEBI:33704)
(+)-(S)-Dihydroaeruginoic acid (CHEBI:217259) is a organonitrogen compound (CHEBI:35352)
(+)-(S)-Dihydroaeruginoic acid (CHEBI:217259) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Manual XrefsDatabases
23110944ChemSpider
J9FPDBeChem