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CHEBI:77267 - 3-sulfopropanediol

ChEBI IDCHEBI:77267
ChEBI Name3-sulfopropanediol
Stars
DefinitionAn alkanesulfonic acid obtained by the formal substitution of one of the methyl hydrogens of propane-1,2-diol by a sulfonic acid group.
Last Modified17 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC3H8O5S
Net Charge0
Average Mass156.159
Monoisotopic Mass156.00924
SMILESO=S(=O)(O)CC(O)CO
InChIInChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)
InChIKeyYPFUJZAAZJXMIP-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
2,3-Dihydroxypropanesulphonic acidChemIDplus
2,3-Dihydroxy-1-propanesulfonic acidChemIDplus
Manual XrefsDatabases
2-3-dihydroxypropane-1-sulfonateMetaCyc
Registry NumbersSources
Reaxys:1763745Reaxys
CAS:10296-76-1ChemIDplus