CHEBI:18320 - 1,4-dithiothreitol

ChEBI IDCHEBI:18320
ChEBI Name1,4-dithiothreitol
Stars
DefinitionThe threo-diastereomer of 1,4-dimercaptobutane-2,3-diol.
Secondary ChEBI IDsCHEBI:4664, CHEBI:11174, CHEBI:23854
Last Modified26 February 2016
DownloadsMolfile
FormulaC4H10O2S2
Net Charge0
Average Mass154.256
Monoisotopic Mass154.01222
SMILESOC(CS)C(O)CS
InChIInChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
InChIKeyVHJLVAABSRFDPM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Chemical Roles:
reducing agent  The element or compound in a reduction-oxidation (redox) reaction that donates an electron to another species.
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,4-dithiothreitol (CHEBI:18320) has role chelator (CHEBI:38161)
1,4-dithiothreitol (CHEBI:18320) has role human metabolite (CHEBI:77746)
1,4-dithiothreitol (CHEBI:18320) has role reducing agent (CHEBI:63247)
1,4-dithiothreitol (CHEBI:18320) is a 1,4-dimercaptobutane-2,3-diol (CHEBI:25189)
1,4-dithiothreitol (CHEBI:18320) is a dithiol (CHEBI:23853)
Incoming Relation(s)
D-1,4-dithiothreitol (CHEBI:42170) is a 1,4-dithiothreitol (CHEBI:18320)
L-1,4-dithiothreitol (CHEBI:42106) is a 1,4-dithiothreitol (CHEBI:18320)
IUPAC Name 
rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol
Synonyms  Source
DithiothreitolKEGG COMPOUND
1,4-DithiothreitolKEGG COMPOUND
threo-1,4-Dimercapto-2,3-butanediolKEGG COMPOUND
(R*,R*)-1,4-dimercapto-2,3-butanediolNIST Chemistry WebBook
Cleland's reagentNIST Chemistry WebBook
DL-threo-1,4-Dimercapto-2,3-butanediolChemIDplus
UniProt Name  Source
1,4-dithiothreitolUniProt
Manual XrefsDatabases
C00265KEGG COMPOUND
C00265KEGG COMPOUND
DB04447DrugBank
LSM-36870LINCS
Registry NumbersSources
Beilstein:8144556Beilstein
CAS:3483-12-3KEGG COMPOUND
CAS:3483-12-3ChemIDplus
CAS:3483-12-3NIST Chemistry WebBook
Citations