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English
(S)-acetoin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
part of
(S,S)-butanediol dehydrogenase activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
acetoin racemase activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
diacetyl reductase ((S)-acetoin forming) activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
mass
88.052429496
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(R)-acetoin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄H₈O₂
0 references
canonical SMILES
CC(=O)C(C)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](C(=O)C)O
0 references
Identifiers
InChI
InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1
0 references
InChIKey
ROWKJAVDOGWPAT-VKHMYHEASA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
78183-56-9
0 references
PubChem CID
447765
1 reference
matched by identifier from
InChIKey
InChIKey
ROWKJAVDOGWPAT-VKHMYHEASA-N
ChEBI ID
15687
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1
UniChem compound ID
653760
1 reference
stated in
UniChem
DrugBank ID
02788
1 reference
matched by identifier from
InChIKey
InChIKey
ROWKJAVDOGWPAT-VKHMYHEASA-N
Probes And Drugs ID
PD006274
0 references
PDB ligand ID
HBS
0 references
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