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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:77267 - 3-sulfopropanediol
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ChEBI Ontology
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ChEBI Name
3-sulfopropanediol
ChEBI ID
CHEBI:77267
Definition
An alkanesulfonic acid obtained by the formal substitution of one of the methyl hydrogens of propane-1,2-diol by a sulfonic acid group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C3H8O5S
Net Charge
0
Average Mass
156.15800
Monoisotopic Mass
156.00924
InChI
InChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)
InChIKey
YPFUJZAAZJXMIP-UHFFFAOYSA-N
SMILES
OCC(O)CS(O)(=O)=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-sulfopropanediol (
CHEBI:77267
)
has role
metabolite (
CHEBI:25212
)
3-sulfopropanediol (
CHEBI:77267
)
is a
alkanesulfonic acid (
CHEBI:47901
)
3-sulfopropanediol (
CHEBI:77267
)
is a
propane-1,2-diols (
CHEBI:26284
)
3-sulfopropanediol (
CHEBI:77267
)
is conjugate acid of
3-sulfopropanediol(1−) (
CHEBI:77138
)
Incoming
(2
R
)-3-sulfopropanediol (
CHEBI:60996
)
is a
3-sulfopropanediol (
CHEBI:77267
)
3-sulfopropanediol(1−) (
CHEBI:77138
)
is conjugate base of
3-sulfopropanediol (
CHEBI:77267
)
IUPAC Name
2,3-dihydroxypropane-1-sulfonic acid
Synonyms
Sources
2,3-Dihydroxy-1-propanesulfonic acid
ChemIDplus
2,3-Dihydroxypropanesulphonic acid
ChemIDplus
Manual Xref
Database
2-3-dihydroxypropane-1-sulfonate
MetaCyc
View more database links
Registry Numbers
Types
Sources
10296-76-1
CAS Registry Number
ChemIDplus
1763745
Reaxys Registry Number
Reaxys
Last Modified
17 May 2017