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> Main
CHEBI:58998 - carbapenem MM22383
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ChEBI Name
carbapenem MM22383
ChEBI ID
CHEBI:58998
Definition
A carbapenemcarboxylic acid having a 2-(acetamidovinyl)sulfanyl group at the 2-position and an (
S
)-1-hydroxyethyl group at the 6-position.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H16N2O5S
Net Charge
0
Average Mass
312.34200
Monoisotopic Mass
312.07799
InChI
InChI=1S/C13H16N2O5S/c1-
6(16)
10-
8-
5-
9(21-
4-
3-
14-
7(2)
17)
11(13(19)
20)
15(8)
12(10)
18/h3-
4,6,8,10,16H,5H2,1-
2H3,(H,14,17)
(H,19,20)
/b4-
3+/t6-
,8+,10+/m0/s1
InChIKey
PRPNUZWHFGSGRV-RZFSBTTISA-N
SMILES
[H][C@]12CC(S\C=C\NC(C)=O)=C(N1C(=O)[C@]2([H])[C@H](C)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):
drug allergen
Any drug which causes the onset of an allergic reaction.
antibacterial drug
A drug used to treat or prevent bacterial infections.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
(via
carbapenems
)
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
heterocyclic antibiotic
)
Application
(s):
drug allergen
Any drug which causes the onset of an allergic reaction.
antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
carbapenem MM22383 (
CHEBI:58998
)
has role
antibacterial drug (
CHEBI:36047
)
carbapenem MM22383 (
CHEBI:58998
)
has role
drug allergen (
CHEBI:88188
)
carbapenem MM22383 (
CHEBI:58998
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
carbapenem MM22383 (
CHEBI:58998
)
is a
carbapenemcarboxylic acid (
CHEBI:46634
)
IUPAC Name
(5
R
,6
S
)-
2-
{[(
E
)-
2-
acetamidovinyl]sulfanyl}-
6-
[(1
S
)-
1-
hydroxyethyl]-
2,3-
didehydro-
1-
carbapenam-
3-
carboxylic acid
Synonyms
Sources
(5
R
,6
S
)-
3-
{[(
E
)-
2-
acetamidovinyl]sulfanyl}-
6-
[(1
S
)-
1-
hydroxyethyl]-
7-
oxo-
1-
azabicyclo[3.2.0]hept-
2-
ene-
2-
carboxylic acid
IUPAC
MM22383
ChEBI
Manual Xref
Database
C17398
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
497581
Beilstein Registry Number
Beilstein
65322-98-7
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
3338858
PubMed citation
Europe PMC
Last Modified
21 December 2015