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CHEBI:88610 - N-Acetylcystathionine

ChEBI IDCHEBI:88610
ChEBI NameN-Acetylcystathionine
Stars
DownloadsMolfile
FormulaC9H16N2O5S
Net Charge0
Average Mass264.303
Monoisotopic Mass264.07799
SMILESCC(=O)NC(CSCC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5S/c1-5(12)11-7(9(15)16)4-17-3-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7?/m0/s1
InChIKeyQWACVTVBTRSCRL-PKPIPKONSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) Article (MetaGene: http://www.metagene.de/program/d.prg?mp=gamma-CYSTATHIONASE%20DEFICIENCY%20(CTH))
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-Acetylcystathionine (CHEBI:88610) is a N-acyl-amino acid (CHEBI:51569)
Synonyms  Source
Nac-cystaHMDB
(2S)-2-amino-4-[(2-carboxy-2-acetamidoethyl)sulfanyl]butanoic acidHMDB
S-(L-2-(Acetylamino)-2-carboxyethyl)-L-homocysteineHMDB
N-MonoacetylcystathionineHMDB
S-(2-(Acetylamino)-2-carboxyethyl)-L-HomocysteineHMDB
Manual XrefsDatabases
HMDB0002381HMDB
Registry NumbersSources
CAS:20619-80-1KEGG COMPOUND
Citations