CHEBI:77267 - 3-sulfopropanediol

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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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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.
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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 (2R)-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
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Registry Numbers Types Sources
10296-76-1 CAS Registry Number ChemIDplus
1763745 Reaxys Registry Number Reaxys
Last Modified
17 May 2017