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:52037 - flucloxacillin(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
flucloxacillin(1−)
ChEBI ID
CHEBI:52037
ChEBI ASCII Name
flucloxacillin(1-)
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
C19H16ClFN3O5S
Net Charge
-1
Average Mass
452.86400
Monoisotopic Mass
452.04887
InChI
InChI=1S/C19H17ClFN3O5S/c1-
7-
10(12(23-
29-
7)
11-
8(20)
5-
4-
6-
9(11)
21)
15(25)
22-
13-
16(26)
24-
14(18(27)
28)
19(2,3)
30-
17(13)
24/h4-
6,13-
14,17H,1-
3H3,(H,22,25)
(H,27,28)
/p-
1/t13-
,14+,17-
/m1/s1
InChIKey
UIOFUWFRIANQPC-JKIFEVAISA-M
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(F)cccc1Cl)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
flucloxacillin(1−) (
CHEBI:52037
)
is a
penicillinate anion (
CHEBI:51356
)
flucloxacillin(1−) (
CHEBI:52037
)
is conjugate base of
flucloxacillin (
CHEBI:5098
)
Incoming
flucloxacillin sodium (
CHEBI:31615
)
has part
flucloxacillin(1−) (
CHEBI:52037
)
flucloxacillin (
CHEBI:5098
)
is conjugate acid of
flucloxacillin(1−) (
CHEBI:52037
)
IUPAC Name
6β-
[3-
(2-
chloro-
6-
fluorophenyl)-
5-
methyl-
1,2-
oxazole-
4-
carboxamido]-
2,2-
dimethylpenam-
3α-
carboxylate
Synonym
Source
(2
S
,5
R
,6
R
)-
6-
({[3-
(2-
chloro-
6-
fluorophenyl)-
5-
methyl-
1,2-
oxazol-
4-
yl]carbonyl}amino)-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylate
IUPAC
Registry Number
Type
Source
5397371
Beilstein Registry Number
Beilstein
Last Modified
12 March 2009