EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202626 - Gymnastatin S

ChEBI IDCHEBI:202626
ChEBI NameGymnastatin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23NO6
Net Charge0
Average Mass361.394
Monoisotopic Mass361.15254
SMILESCC(/C=C/C(=O)NC(Cc1ccc(O)cc1)C(=O)O)=C\[C@H](C)CC(=O)O
InChIInChI=1S/C19H23NO6/c1-12(9-13(2)10-18(23)24)3-8-17(22)20-16(19(25)26)11-14-4-6-15(21)7-5-14/h3-9,13,16,21H,10-11H2,1-2H3,(H,20,22)(H,23,24)(H,25,26)/b8-3+,12-9+/t13-,16?/m0/s1
InChIKeyQDUUNHXRESPFEU-UPEYRWOYSA-N
Species of MetaboliteComponentSourceComments
Gymnascella dankaliensis (ncbitaxon:166389) - PubMed (25600409)
ChEBI Ontology
Outgoing Relation(s)
Gymnastatin S (CHEBI:202626) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
(3R,4E,6E)-8-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3,5-dimethyl-8-oxoocta-4,6-dienoic acid
Manual XrefsDatabases
58987999ChemSpider