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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81065 - Penicillin X
Main
ChEBI Ontology
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ChEBI Name
Penicillin X
ChEBI ID
CHEBI:81065
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C16H18N2O5S
Net Charge
0
Average Mass
350.39000
Monoisotopic Mass
350.09364
InChI
InChI=1S/C16H18N2O5S/c1-
16(2)
12(15(22)
23)
18-
13(21)
11(14(18)
24-
16)
17-
10(20)
7-
8-
3-
5-
9(19)
6-
4-
8/h3-
6,11-
12,14,19H,7H2,1-
2H3,(H,17,20)
(H,22,23)
/t11-
,12+,14-
/m1/s1
InChIKey
AZCVBVRUYHKWHU-MBNYWOFBSA-N
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccc(O)cc3)C(=O)N2[C@H]1C(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
Penicillin X (
CHEBI:81065
)
is a
penicillin (
CHEBI:17334
)
Manual Xref
Database
C17404
KEGG COMPOUND
View more database links
Registry Number
Type
Source
525-91-7
CAS Registry Number
KEGG COMPOUND