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:5683 - hetacillin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
hetacillin
ChEBI ID
CHEBI:5683
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
Wikipedia
License
Read full article at Wikipedia
Formula
C19H23N3O4S
Net Charge
0
Average Mass
389.46900
Monoisotopic Mass
389.14093
InChI
InChI=1S/C19H23N3O4S/c1-
18(2)
13(17(25)
26)
21-
15(24)
12(16(21)
27-
18)
22-
14(23)
11(20-
19(22,3)
4)
10-
8-
6-
5-
7-
9-
10/h5-
9,11-
13,16,20H,1-
4H3,(H,25,26)
/t11-
,12-
,13+,16-
/m1/s1
InChIKey
DXVUYOAEDJXBPY-NFFDBFGFSA-N
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)c1ccccc1)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):
antibacterial drug
A drug used to treat or prevent bacterial infections.
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
)
Application
(s):
antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hetacillin (
CHEBI:5683
)
has role
antibacterial drug (
CHEBI:36047
)
hetacillin (
CHEBI:5683
)
is a
penicillin (
CHEBI:17334
)
hetacillin (
CHEBI:5683
)
is conjugate acid of
hetacillin(1−) (
CHEBI:52059
)
Incoming
hetacillin(1−) (
CHEBI:52059
)
is conjugate base of
hetacillin (
CHEBI:5683
)
IUPAC Name
6β-
[(4
R
)-
2,2-
dimethyl-
5-
oxo-
4-
phenylimidazolidin-
1-
yl]-
2,2-
dimethylpenam-
3α-
carboxylic acid
INNs
Sources
hetacilina
ChemIDplus
hetacillin
ChemIDplus
hetacilline
ChemIDplus
hetacillinum
ChemIDplus
Synonyms
Sources
(2
S
,5
R
,6
R
)-
6-
[(4
R
)-
2,2-
dimethyl-
5-
oxo-
4-
phenylimidazolidin-
1-
yl]-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
IUPAC
6β-[(4
R
)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]penicillanic acid
ChEBI
Hetacillin
KEGG COMPOUND
Manual Xrefs
Databases
1363
DrugCentral
C11729
KEGG COMPOUND
D01074
KEGG DRUG
DB00739
DrugBank
Hetacillin
Wikipedia
US3198804
Patent
View more database links
Registry Numbers
Types
Sources
3511-16-8
CAS Registry Number
KEGG COMPOUND
3511-16-8
CAS Registry Number
ChemIDplus
5405483
Beilstein Registry Number
Beilstein
Last Modified
22 February 2017