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CHEBI:177862 - (3S,6S)-3-(4-Hydroxybenzyl)-6-(hydroxymethyl)-2,5-piperazinedione

ChEBI IDCHEBI:177862
ChEBI Name(3S,6S)-3-(4-Hydroxybenzyl)-6-(hydroxymethyl)-2,5-piperazinedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14N2O4
Net Charge0
Average Mass250.254
Monoisotopic Mass250.09536
SMILESO=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]1CO
InChIInChI=1S/C12H14N2O4/c15-6-10-12(18)13-9(11(17)14-10)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6H2,(H,13,18)(H,14,17)/t9-,10-/m0/s1
InChIKeyCHYMARRIVIIBNV-UWVGGRQHSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
(3S,6S)-3-(4-Hydroxybenzyl)-6-(hydroxymethyl)-2,5-piperazinedione (CHEBI:177862) has functional parent α-amino acid (CHEBI:33704)
(3S,6S)-3-(4-Hydroxybenzyl)-6-(hydroxymethyl)-2,5-piperazinedione (CHEBI:177862) is a organonitrogen compound (CHEBI:35352)
(3S,6S)-3-(4-Hydroxybenzyl)-6-(hydroxymethyl)-2,5-piperazinedione (CHEBI:177862) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Manual XrefsDatabases
2339661ChemSpider
Registry NumbersSources
CAS:21754-31-4ChemIDplus