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iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:18203 - penicillin N
Main
ChEBI Ontology
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ChEBI Name
penicillin N
ChEBI ID
CHEBI:18203
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14744, CHEBI:7964, CHEBI:25867
Supplier Information
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Formula
C14H21N3O6S
Net Charge
0
Average Mass
359.39916
Monoisotopic Mass
359.11511
InChI
InChI=1S/C14H21N3O6S/c1-
14(2)
9(13(22)
23)
17-
10(19)
8(11(17)
24-
14)
16-
7(18)
5-
3-
4-
6(15)
12(20)
21/h6,8-
9,11H,3-
5,15H2,1-
2H3,(H,16,18)
(H,20,21)
(H,22,23)
/t6-
,8-
,9+,11-
/m1/s1
InChIKey
MIFYHUACUWQUKT-GPUHXXMPSA-N
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(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
penicillin N (
CHEBI:18203
)
is a
penicillin (
CHEBI:17334
)
penicillin N (
CHEBI:18203
)
is conjugate acid of
penicillin N(1−) (
CHEBI:58408
)
Incoming
penicillin N(1−) (
CHEBI:58408
)
is conjugate base of
penicillin N (
CHEBI:18203
)
IUPAC Name
6β-[(5
R
)-5-amino-5-carboxypentanamido]-2,2-dimethylpenam-3α-carboxylic acid
Synonyms
Sources
(2
S
,5
R
,6
R
)-
6-
[(5
R
)-
5-
amino-
5-
carboxypentanamido]-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
IUPAC
adicillin
ChemIDplus
cephalosporin N
ChemIDplus
Penicillin N
KEGG COMPOUND
Manual Xrefs
Databases
3421
DrugCentral
C00000780
KNApSAcK
C06564
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
525-94-0
CAS Registry Number
ChemIDplus
56934
Beilstein Registry Number
Beilstein
Last Modified
22 February 2017