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ChEBI
> Main
CHEBI:9322 - sulbenicillin
Main
ChEBI Ontology
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ChEBI Name
sulbenicillin
ChEBI ID
CHEBI:9322
Definition
A penicillin antibiotic having a 6β-[phenyl(sulfo)acetamido] side-chain.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C16H18N2O7S2
Net Charge
0
Average Mass
414.45300
Monoisotopic Mass
414.05554
InChI
InChI=1S/C16H18N2O7S2/c1-
16(2)
11(15(21)
22)
18-
13(20)
9(14(18)
26-
16)
17-
12(19)
10(27(23,24)
25)
8-
6-
4-
3-
5-
7-
8/h3-
7,9-
11,14H,1-
2H3,(H,17,19)
(H,21,22)
(H,23,24,25)
/t9-
,10?,11+,14-
/m1/s1
InChIKey
JETQIUPBHQNHNZ-OAYJICASSA-N
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(c1ccccc1)S(O)(=O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via
penicillin
)
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
heterocyclic antibiotic
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
sulbenicillin (
CHEBI:9322
)
is a
penicillin (
CHEBI:17334
)
sulbenicillin (
CHEBI:9322
)
is conjugate acid of
sulbenicillin(2−) (
CHEBI:52436
)
Incoming
sulbenicillin(2−) (
CHEBI:52436
)
is conjugate base of
sulbenicillin (
CHEBI:9322
)
sulbenicilloyl group (
CHEBI:55459
)
is substituent group from
sulbenicillin (
CHEBI:9322
)
IUPAC Name
6β-[phenyl(sulfo)acetamido]-2,2-dimethylpenam-3α-carboxylic acid
INNs
Sources
sulbenicilina
ChemIDplus
sulbenicillin
KEGG DRUG
sulbenicilline
ChemIDplus
sulbenicillinum
ChemIDplus
Synonyms
Sources
(2
S
,5
R
,6
R
)-
3,3-
dimethyl-
7-
oxo-
6-
{[phenyl(sulfo)acetyl]amino}-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
IUPAC
SBPC
ChEBI
Sulbenicillin
KEGG COMPOUND
Manual Xrefs
Databases
C11170
KEGG COMPOUND
D08534
KEGG DRUG
DE1948943
Patent
Sulbenicillin
Wikipedia
US3660379
Patent
View more database links
Registry Numbers
Types
Sources
1186914
Reaxys Registry Number
Reaxys
41744-40-5
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
11317344
PubMed citation
Europe PMC
1384868
PubMed citation
Europe PMC
3114912
PubMed citation
Europe PMC
4347548
PubMed citation
Europe PMC
6176550
PubMed citation
Europe PMC
6668759
PubMed citation
Europe PMC
Last Modified
22 February 2017