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CHEBI:165853 - allocystathionine

ChEBI IDCHEBI:165853
ChEBI Nameallocystathionine
Stars
Last Modified18 February 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H14N2O4S
Net Charge0
Average Mass222.266
Monoisotopic Mass222.06743
SMILESNC(CSCC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5?/m0/s1
InChIKeyILRYLPWNYFXEMH-ROLXFIACSA-N
ChEBI Ontology
Outgoing Relation(s)
allocystathionine (CHEBI:165853) is a cysteine derivative (CHEBI:23509)
IUPAC Name 
(2S)-2-amino-4-(2-amino-2-carboxyethyl)sulanylbutanoic acid
Manual XrefsDatabases
CPD0-1563MetaCyc
C00542KEGG COMPOUND
8280480ChemSpider
HMDB0000455HMDB
FDB022055FooDB