Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:58408 - penicillin N(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
penicillin N(1−)
ChEBI ID
CHEBI:58408
ChEBI ASCII Name
penicillin N(1-)
Definition
Conjugate base of penicillin N.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C14H20N3O6S
Net Charge
-1
Average Mass
358.39000
Monoisotopic Mass
358.10783
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)
/p-
1/t6-
,8-
,9+,11-
/m1/s1
InChIKey
MIFYHUACUWQUKT-GPUHXXMPSA-M
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O
Roles Classification
Biological Role
(s):
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(1−) (
CHEBI:58408
)
is a
penicillinate anion (
CHEBI:51356
)
penicillin N(1−) (
CHEBI:58408
)
is conjugate base of
penicillin N (
CHEBI:18203
)
Incoming
penicillin N (
CHEBI:18203
)
is conjugate acid of
penicillin N(1−) (
CHEBI:58408
)
IUPAC Name
6β-[(5
R
)-5-ammonio-5-carboxylatopentanamido]-2,2-dimethylpenam-3α-carboxylate
Synonyms
Sources
(2
S
,5
R
,6
R
)-
6-
{[(5
R
)-
5-
ammonio-
5-
carboxylatopentanoyl]amino}-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylate
IUPAC
penicillin N
UniProt
penicillin N anion
ChEBI
Last Modified
13 April 2015