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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:51918 - nafcillin(1−)
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ChEBI Ontology
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ChEBI Name
nafcillin(1−)
ChEBI ID
CHEBI:51918
ChEBI ASCII Name
nafcillin(1-)
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H21N2O5S
Net Charge
-1
Average Mass
413.46792
Monoisotopic Mass
413.11767
InChI
InChI=1S/C21H22N2O5S/c1-
4-
28-
13-
10-
9-
11-
7-
5-
6-
8-
12(11)
14(13)
17(24)
22-
15-
18(25)
23-
16(20(26)
27)
21(2,3)
29-
19(15)
23/h5-
10,15-
16,19H,4H2,1-
3H3,(H,22,24)
(H,26,27)
/p-
1/t15-
,16+,19-
/m1/s1
InChIKey
GPXLMGHLHQJAGZ-JTDSTZFVSA-M
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)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
nafcillin(1−) (
CHEBI:51918
)
is a
penicillinate anion (
CHEBI:51356
)
nafcillin(1−) (
CHEBI:51918
)
is conjugate base of
nafcillin (
CHEBI:7447
)
Incoming
nafcillin sodium (
CHEBI:7448
)
has part
nafcillin(1−) (
CHEBI:51918
)
nafcillin (
CHEBI:7447
)
is conjugate acid of
nafcillin(1−) (
CHEBI:51918
)
IUPAC Name
6β-(2-ethoxynaphthalene-1-carboxamido)-2,2-dimethylpenam-3α-carboxylate
Synonym
Source
(2
S
,5
R
,6
R
)-
6-
{[(2-
ethoxynaphthalen-
1-
yl)carbonyl]amino}-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylate
IUPAC
Registry Number
Type
Source
4279301
Beilstein Registry Number
Beilstein
Last Modified
12 March 2009