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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:52429 - propicillin
Main
ChEBI Ontology
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ChEBI Name
propicillin
ChEBI ID
CHEBI:52429
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula
C18H22N2O5S
Net Charge
0
Average Mass
378.44300
Monoisotopic Mass
378.12494
InChI
InChI=1S/C18H22N2O5S/c1-
4-
11(25-
10-
8-
6-
5-
7-
9-
10)
14(21)
19-
12-
15(22)
20-
13(17(23)
24)
18(2,3)
26-
16(12)
20/h5-
9,11-
13,16H,4H2,1-
3H3,(H,19,21)
(H,23,24)
/t11?,12-
,13+,16-
/m1/s1
InChIKey
HOCWPKXKMNXINF-XQERAMJGSA-N
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(CC)Oc1ccccc1)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
propicillin (
CHEBI:52429
)
is a
penicillin (
CHEBI:17334
)
propicillin (
CHEBI:52429
)
is conjugate acid of
propicillin(1−) (
CHEBI:52435
)
Incoming
propicillin(1−) (
CHEBI:52435
)
is conjugate base of
propicillin (
CHEBI:52429
)
IUPAC Name
6β-(2-phenoxybutanamido)-2,2-dimethylpenam-3α-carboxylic acid
INNs
Sources
propicilina
ChemIDplus
propicillin
ChemIDplus
propicillinum
ChEBI
Synonyms
Sources
(2
S
,5
R
,6
R
)-
3,3-
dimethyl-
7-
oxo-
6-
[(2-
phenoxybutanoyl)amino]-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
IUPAC
propicilline
ChemIDplus
Manual Xrefs
Databases
2297
DrugCentral
GB877120
Patent
View more database links
Registry Numbers
Types
Sources
1092883
Beilstein Registry Number
Beilstein
551-27-9
CAS Registry Number
ChemIDplus
Last Modified
22 February 2017