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CHEBI:192208 - Gluten exorphin B4

ChEBI IDCHEBI:192208
ChEBI NameGluten exorphin B4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27N5O9
Net Charge0
Average Mass529.506
Monoisotopic Mass529.18088
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)ONCC(=O)ONCC(=O)ON[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C24H27N5O9/c25-18(9-14-5-7-16(30)8-6-14)24(35)38-28-12-21(31)36-27-13-22(32)37-29-20(23(33)34)10-15-11-26-19-4-2-1-3-17(15)19/h1-8,11,18,20,26-30H,9-10,12-13,25H2,(H,33,34)/t18-,20-/m0/s1
InChIKeyWHGKXKRERBUEES-ICSRJNTNSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Gluten exorphin B4 (CHEBI:192208) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxyamino]acetyl]oxyamino]acetyl]oxyamino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
HMDB0059794HMDB
30778481ChemSpider