CHEBI:28839 - 3-disulfanyl-L-alanine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-disulfanyl-L-alanine
ChEBI ID CHEBI:28839
ChEBI ASCII Name 3-disulfanyl-L-alanine
Definition An S-substituted L-cysteine where the S-substituent is specified as sulfanyl.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41743, CHEBI:41628, CHEBI:41711, CHEBI:41718, CHEBI:9551, CHEBI:21269
Supplier Information No supplier information found for this compound.
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Formula C3H7NO2S2
Net Charge 0
Average Mass 153.210
Monoisotopic Mass 152.99182
InChI InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey XBKONSCREBSMCS-REOHCLBHSA-N
SMILES C([C@H](N)C(=O)O)SS
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-disulfanyl-L-alanine (CHEBI:28839) has role human metabolite (CHEBI:77746)
3-disulfanyl-L-alanine (CHEBI:28839) has role mouse metabolite (CHEBI:75771)
3-disulfanyl-L-alanine (CHEBI:28839) is a S-substituted L-cysteine (CHEBI:47910)
3-disulfanyl-L-alanine (CHEBI:28839) is tautomer of 3-disulfanyl-L-alanine zwitterion (CHEBI:58591)
Incoming 3-disulfanyl-L-alanine residue (CHEBI:61963) is substituent group from 3-disulfanyl-L-alanine (CHEBI:28839)
3-disulfanyl-L-alanine zwitterion (CHEBI:58591) is tautomer of 3-disulfanyl-L-alanine (CHEBI:28839)
IUPAC Name
3-disulfanyl-L-alanine
Synonyms Sources
(R)-2-amino-3-disulfanylpropanoic acid RESID
2-amino-3-disulfanylpropanoic acid RESID
2-amino-3-hydrodisulfidopropanoic acid RESID
2-amino-3-hydropersulfidopropanoic acid RESID
2-amino-3-persulfhydrylpropanoic acid RESID
3-(thiosulfeno)-alanine RESID
cysteine persulfide ChEBI
cysteine perthiol ChEBI
S-sulfanylcysteine RESID
Thiocysteine KEGG COMPOUND
thiocysteine RESID
Manual Xrefs Databases
AA0269 RESID
C01962 KEGG COMPOUND
CSS PDBeChem
DB02761 DrugBank
View more database links
Registry Numbers Types Sources
5652-32-4 CAS Registry Number KEGG COMPOUND
5652-32-4 CAS Registry Number ChemIDplus
6381723 Reaxys Registry Number Reaxys
Citations
Last Modified
31 January 2024