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ChEBI
> Main
CHEBI:88610 - N-Acetylcystathionine
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ChEBI Ontology
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ChEBI Name
N-Acetylcystathionine
ChEBI ID
CHEBI:88610
Stars
This entity has been manually annotated by a third party.
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Formula
C9H16N2O5S
Net Charge
0
Average Mass
264.300
Monoisotopic Mass
264.07799
InChI
InChI=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
InChIKey
QWACVTVBTRSCRL-PKPIPKONSA-N
SMILES
S(CC[C@H](N)C(O)=O)CC(NC(=O)C)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See: MetaGene: http://www.metagene.de/program/d.prg?mp=gamma-CYSTATHIONASE%20DEFICIENCY%20(CTH)
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N-Acetylcystathionine (
CHEBI:88610
)
is a
N
-acyl-amino acid (
CHEBI:51569
)
Synonyms
Sources
(2S)-2-amino-4-[(2-carboxy-2-acetamidoethyl)sulfanyl]butanoic acid
HMDB
N-Monoacetylcystathionine
HMDB
Nac-cysta
HMDB
S-(2-(Acetylamino)-2-carboxyethyl)-L-Homocysteine
HMDB
S-(L-2-(Acetylamino)-2-carboxyethyl)-L-homocysteine
HMDB
Manual Xref
Database
HMDB0002381
HMDB
View more database links
Registry Number
Type
Source
20619-80-1
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
1793738
PubMed citation
Europe PMC
9437538
PubMed citation
Europe PMC