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> Main
CHEBI:44111 - 3-mercaptopropanoic acid
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ChEBI Name
3-mercaptopropanoic acid
ChEBI ID
CHEBI:44111
Definition
A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C3H6O2S
Net Charge
0
Average Mass
106.14454
Monoisotopic Mass
106.00885
InChI
InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
InChIKey
DKIDEFUBRARXTE-UHFFFAOYSA-N
SMILES
OC(=O)CCS
Metabolite of Species
Details
Thalassiosira pseudonana CCMP1335
(NCBI:txid296543)
See:
MetaboLights Study
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
algal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-mercaptopropanoic acid (
CHEBI:44111
)
has role
algal metabolite (
CHEBI:84735
)
3-mercaptopropanoic acid (
CHEBI:44111
)
is a
mercaptopropanoic acid (
CHEBI:47871
)
3-mercaptopropanoic acid (
CHEBI:44111
)
is conjugate acid of
3-mercaptopropionate (
CHEBI:86386
)
Incoming
3-mercaptopropionate (
CHEBI:86386
)
is conjugate base of
3-mercaptopropanoic acid (
CHEBI:44111
)
IUPAC Name
3-sulfanylpropanoic acid
Synonyms
Sources
2-mercaptoethanecarboxylic acid
ChemIDplus
3-mercaptopropanoic acid
NIST Chemistry WebBook
3-mercaptopropionic acid
ChemIDplus
3-thiohydracrylic acid
NIST Chemistry WebBook
3-thiolpropanoic acid
NIST Chemistry WebBook
3-thiopropanoic acid
ChemIDplus
3-thiopropionic acid
ChemIDplus
3MPA
ChemIDplus
β-mercaptopropionic acid
NIST Chemistry WebBook
BETA-MERCAPTOPROPIONIC ACID
PDBeChem
β-thiopropionic acid
NIST Chemistry WebBook
Manual Xrefs
Databases
CPD-7673
MetaCyc
HMDB0041604
HMDB
MPT
PDBeChem
View more database links
Registry Numbers
Types
Sources
101294
Gmelin Registry Number
Gmelin
107-96-0
CAS Registry Number
NIST Chemistry WebBook
107-96-0
CAS Registry Number
ChemIDplus
773807
Reaxys Registry Number
Reaxys
773807
Beilstein Registry Number
Beilstein
Citations
Types
Sources
19885720
PubMed citation
Europe PMC
3600189
PubMed citation
Europe PMC
Last Modified
09 July 2015