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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52688 - (
S
)-butane-1,3-diol
Main
ChEBI Ontology
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ChEBI Name
(
S
)-butane-1,3-diol
ChEBI ID
CHEBI:52688
ChEBI ASCII Name
(S)-butane-1,3-diol
Definition
A butane-1,3-diol of
S
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:41257
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Formula
C4H10O2
Net Charge
0
Average Mass
90.122
Monoisotopic Mass
90.06808
InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKey
PUPZLCDOIYMWBV-BYPYZUCNSA-N
SMILES
C[C@H](O)CCO
ChEBI Ontology
Outgoing
(
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
(
R
)-butane-1,3-diol (
CHEBI:52687
)
is enantiomer of
(
S
)-butane-1,3-diol (
CHEBI:52688
)
IUPAC Name
(3
S
)-butane-1,3-diol
Synonym
Source
(S)-(+)-Butane-1,3-diol
ChemIDplus
Manual Xref
Database
BU2
PDBeChem
View more database links
Registry Numbers
Types
Sources
1718943
Beilstein Registry Number
Beilstein
1994384
Gmelin Registry Number
Gmelin
24621-61-2
CAS Registry Number
NIST Chemistry WebBook
24621-61-2
CAS Registry Number
ChemIDplus
Last Modified
17 January 2022