Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:13862 - asparagusate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
asparagusate
ChEBI ID
CHEBI:13862
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C4H5O2S2
Net Charge
-1
Average Mass
149.21330
Monoisotopic Mass
148.97365
InChI
InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)/p-1
InChIKey
AYGMEFRECNWRJC-UHFFFAOYSA-M
SMILES
[O-]C(=O)C1CSSC1
ChEBI Ontology
Outgoing
asparagusate (
CHEBI:13862
)
has parent hydride
1,2-dithiolane (
CHEBI:38226
)
asparagusate (
CHEBI:13862
)
is a
dithiolanes (
CHEBI:39192
)
asparagusate (
CHEBI:13862
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
asparagusate (
CHEBI:13862
)
is conjugate base of
asparagusic acid (
CHEBI:18091
)
Incoming
asparagusic acid (
CHEBI:18091
)
is conjugate acid of
asparagusate (
CHEBI:13862
)
IUPAC Name
1,2-dithiolane-4-carboxylate
Synonym
Source
asparagusate
UniProt
Registry Number
Type
Source
4800403
Beilstein Registry Number
Beilstein
Last Modified
13 November 2017