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CHEBI:174226 - Cystathionine sulfoxide

ChEBI IDCHEBI:174226
ChEBI NameCystathionine sulfoxide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC7H14N2O5S
Net Charge0
Average Mass238.265
Monoisotopic Mass238.06234
SMILESN[C@@H](CCS(=O)C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O5S/c8-4(6(10)11)1-2-15(14)3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-,15?/m0/s1
InChIKeyJNUGGJHCMRWUDV-FMMPLYQGSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cystathionine sulfoxide (CHEBI:174226) is a L-α-amino acid (CHEBI:15705)
IUPAC Name 
(2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulinylbutanoic acid
Manual XrefsDatabases
149828ChemSpider
HMDB0002399HMDB
Registry NumbersSources
CAS:54927-81-0ChemIDplus