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:38705 - thiomalic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
thiomalic acid
ChEBI ID
CHEBI:38705
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
C4H6O4S
Net Charge
0
Average Mass
150.150
Monoisotopic Mass
149.99868
InChI
InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)
InChIKey
NJRXVEJTAYWCQJ-UHFFFAOYSA-N
SMILES
OC(=O)CC(S)C(O)=O
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
thiomalic acid (
CHEBI:38705
)
has functional parent
succinic acid (
CHEBI:15741
)
thiomalic acid (
CHEBI:38705
)
is a
C4-dicarboxylic acid (
CHEBI:66873
)
thiomalic acid (
CHEBI:38705
)
is conjugate acid of
thiomalate(1−) (
CHEBI:38708
)
Incoming
aurothiomalic acid (
CHEBI:38722
)
has functional parent
thiomalic acid (
CHEBI:38705
)
diethyl 2-sulfanylbutanedioate (
CHEBI:195233
)
has functional parent
thiomalic acid (
CHEBI:38705
)
(
R
)-thiomalic acid (
CHEBI:38719
)
is a
thiomalic acid (
CHEBI:38705
)
(
S
)-thiomalic acid (
CHEBI:38720
)
is a
thiomalic acid (
CHEBI:38705
)
thiomalate(1−) (
CHEBI:38708
)
is conjugate base of
thiomalic acid (
CHEBI:38705
)
IUPAC Name
2-sulfanylbutanedioic acid
Synonyms
Sources
2-mercaptosuccinic acid
NIST Chemistry WebBook
2-sulfanylsuccinic acid
NIST Chemistry WebBook
2-thiomalic acid
ChemIDplus
α-mercaptosuccinic acid
NIST Chemistry WebBook
mercaptosuccinic acid
ChemIDplus
monomercaptosuccinic acid
ChemIDplus
thiomalic acid
ChemIDplus
Registry Numbers
Types
Sources
1099858
Beilstein Registry Number
ChemIDplus
218084
Gmelin Registry Number
Gmelin
70-49-5
CAS Registry Number
ChemIDplus
70-49-5
CAS Registry Number
NIST Chemistry WebBook
Last Modified
22 August 2024