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CHEBI:52688 - (S)-butane-1,3-diol

ChEBI IDCHEBI:52688
ChEBI Name(S)-butane-1,3-diol
Stars
ASCII Name(S)-butane-1,3-diol
DefinitionA butane-1,3-diol of S-configuration.
Secondary ChEBI IDCHEBI:41257
Last Modified17 January 2022
SubmitterSteve
DownloadsMolfile
FormulaC4H10O2
Net Charge0
Average Mass90.122
Monoisotopic Mass90.06808
SMILESC[C@H](O)CCO
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKeyPUPZLCDOIYMWBV-BYPYZUCNSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-butane-1,3-diol (CHEBI:52688) is a butane-1,3-diol (CHEBI:52683)
(S)-butane-1,3-diol (CHEBI:52688) is enantiomer of (R)-butane-1,3-diol (CHEBI:52687)
Incoming Relation(s)
(R)-butane-1,3-diol (CHEBI:52687) is enantiomer of (S)-butane-1,3-diol (CHEBI:52688)
IUPAC Name 
(3S)-butane-1,3-diol
Synonym  Source
(S)-(+)-Butane-1,3-diolChemIDplus
Manual XrefsDatabases
BU2PDBeChem
Registry NumbersSources
Beilstein:1718943Beilstein
Gmelin:1994384Gmelin
CAS:24621-61-2ChemIDplus
CAS:24621-61-2NIST Chemistry WebBook