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CHEBI:61217 - monosodium benzylpenicilloate
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ChEBI Name
monosodium benzylpenicilloate
ChEBI ID
CHEBI:61217
Definition
An organic sodium salt having benzylpenicilloate as the counterion.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C16H19N2NaO5S
Net Charge
0
Average Mass
374.38700
Monoisotopic Mass
374.09124
InChI
InChI=1S/C16H20N2O5S.Na/c1-
16(2)
12(15(22)
23)
18-
13(24-
16)
11(14(20)
21)
17-
10(19)
8-
9-
6-
4-
3-
5-
7-
9;/h3-
7,11-
13,18H,8H2,1-
2H3,(H,17,19)
(H,20,21)
(H,22,23)
;/q;+1/p-
1/t11-
,12-
,13+;/m0./s1
InChIKey
UFLWEQBVKFKCSB-GRMSKOJTSA-M
SMILES
[Na+].[H][C@]1([NH2+][C@@H](C([O-])=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing
monosodium benzylpenicilloate (
CHEBI:61217
)
has part
benzylpenicilloate(1−) (
CHEBI:61220
)
monosodium benzylpenicilloate (
CHEBI:61217
)
is a
organic sodium salt (
CHEBI:38700
)
IUPAC Name
sodium (2
R
,4
S
)-
2-
{(
R
)-
carboxylato[(phenylacetyl)amino]methyl}-
5,5-
dimethyl-
1,3-
thiazolidin-
3-
ium-
4-
carboxylate
Synonym
Source
monosodium
D
-α-benzylpenicilloate
ChEBI
Citation
Type
Source
13761469
PubMed citation
Europe PMC
Last Modified
04 February 2011