EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16982 - (R,R)-butane-2,3-diol

ChEBI IDCHEBI:16982
ChEBI Name(R,R)-butane-2,3-diol
Stars
ASCII Name(R,R)-butane-2,3-diol
DefinitionThe (R,R) diastereoisomer of butane-2,3-diol.
Secondary ChEBI IDsCHEBI:357, CHEBI:11017, CHEBI:18709, CHEBI:41249
Last Modified21 January 2016
DownloadsMolfile
FormulaC4H10O2
Net Charge0
Average Mass90.122
Monoisotopic Mass90.06808
SMILESC[C@@H](O)[C@@H](C)O
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(R,R)-butane-2,3-diol (CHEBI:16982) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(R,R)-butane-2,3-diol (CHEBI:16982) is a butane-2,3-diol (CHEBI:62064)
(R,R)-butane-2,3-diol (CHEBI:16982) is enantiomer of (S,S)-butane-2,3-diol (CHEBI:16812)
Incoming Relation(s)
(S,S)-butane-2,3-diol (CHEBI:16812) is enantiomer of (R,R)-butane-2,3-diol (CHEBI:16982)
IUPAC Name 
(2R,3R)-butane-2,3-diol
Synonyms  Source
(R,R)-Butane-2,3-diolKEGG COMPOUND
(R,R)-2,3-ButanediolKEGG COMPOUND
(R,R)-2,3-Butylene glycolKEGG COMPOUND
(R,R)-2,3-BUTANEDIOLPDBeChem
(R,R)-(−)-butane-2,3-diolChemIDplus
UniProt Name  Source
(R,R)-butane-2,3-diolUniProt
Manual XrefsDatabases
C03044KEGG COMPOUND
BU3PDBeChem
DB02418DrugBank
Registry NumbersSources
Gmelin:141781Gmelin
Beilstein:1718901Beilstein
CAS:24347-58-8KEGG COMPOUND
CAS:24347-58-8ChemIDplus
CAS:24347-58-8NIST Chemistry WebBook