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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:281056 - loracarbef anion
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ChEBI Name
loracarbef anion
ChEBI ID
CHEBI:281056
Definition
The conjugate base of loracarbef.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C16H15ClN3O4
Net Charge
-1
Average Mass
348.76100
Monoisotopic Mass
348.07566
InChI
InChI=1S/C16H16ClN3O4/c17-
9-
6-
7-
10-
12(15(22)
20(10)
13(9)
16(23)
24)
19-
14(21)
11(18)
8-
4-
2-
1-
3-
5-
8/h1-
5,10-
12H,6-
7,18H2,(H,19,21)
(H,23,24)
/p-
1/t10-
,11-
,12+/m1/s1
InChIKey
JAPHQRWPEGVNBT-UTUOFQBUSA-M
SMILES
N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C([O-])=O)c1ccccc1
Roles Classification
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.
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
loracarbef anion (
CHEBI:281056
)
has role
allergen (
CHEBI:50904
)
loracarbef anion (
CHEBI:281056
)
is a
carbacephem (
CHEBI:55504
)
loracarbef anion (
CHEBI:281056
)
is conjugate base of
loracarbef (
CHEBI:47544
)
Incoming
loracarbef (
CHEBI:47544
)
is conjugate acid of
loracarbef anion (
CHEBI:281056
)
IUPAC Names
(6
R
,7
S
)-
7-
{[(2
R
)-
2-
amino-
2-
phenylacetyl]amino}-
3-
chloro-
8-
oxo-
1-
azabicyclo[4.2.0]oct-
2-
ene-
2-
carboxylate
7β-[(2
R
)-2-amino-2-phenylacetyl]nitrilo-3-chloro-3,4-didehydrocepham-4-carboxylate
Synonym
Source
loracarbef
ChEBI
Last Modified
07 March 2019