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:38714 - 3-carboxy-2-sulfidopropanoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-carboxy-2-sulfidopropanoate
ChEBI ID
CHEBI:38714
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
C4H4O4S
Net Charge
-2
Average Mass
148.13816
Monoisotopic Mass
147.98413
InChI
InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/p-2
InChIKey
NJRXVEJTAYWCQJ-UHFFFAOYSA-L
SMILES
OC(=O)CC([S-])C([O-])=O
ChEBI Ontology
Outgoing
3-carboxy-2-sulfidopropanoate (
CHEBI:38714
)
is a
thiomalate(2−) (
CHEBI:38710
)
3-carboxy-2-sulfidopropanoate (
CHEBI:38714
)
is tautomer of
2-mercaptosuccinate (
CHEBI:38712
)
Incoming
2-mercaptosuccinate (
CHEBI:38712
)
is tautomer of
3-carboxy-2-sulfidopropanoate (
CHEBI:38714
)
IUPAC Name
3-carboxy-2-sulfidopropanoate
Registry Number
Type
Source
602203
Gmelin Registry Number
Gmelin
Last Modified
28 June 2007