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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52441 - cefonicid(2−)
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ChEBI Name
cefonicid(2−)
ChEBI ID
CHEBI:52441
ChEBI ASCII Name
cefonicid(2-)
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H16N6O8S3
Net Charge
-2
Average Mass
540.55000
Monoisotopic Mass
540.02027
InChI
InChI=1S/C18H18N6O8S3/c25-
13(9-
4-
2-
1-
3-
5-
9)
14(26)
19-
11-
15(27)
24-
12(17(28)
29)
10(6-
33-
16(11)
24)
7-
34-
18-
20-
21-
22-
23(18)
8-
35(30,31)
32/h1-
5,11,13,16,25H,6-
8H2,(H,19,26)
(H,28,29)
(H,30,31,32)
/p-
2/t11-
,13-
,16-
/m1/s1
InChIKey
DYAIAHUQIPBDIP-AXAPSJFSSA-L
SMILES
[H][C@]12SCC(CSc3nnnn3CS([O-])(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing
cefonicid(2−) (
CHEBI:52441
)
is a
cephalosporin carboxylic acid anion (
CHEBI:52440
)
cefonicid(2−) (
CHEBI:52441
)
is conjugate base of
cefonicid (
CHEBI:3491
)
Incoming
cefonicid sodium (
CHEBI:3492
)
has part
cefonicid(2−) (
CHEBI:52441
)
cefonicid (
CHEBI:3491
)
is conjugate acid of
cefonicid(2−) (
CHEBI:52441
)
IUPAC Name
6β-
[(2
R
)-
2-
hydroxy-
2-
phenylacetamido]-
3-
({[1-
(sulfonatomethyl)-
1
H
-
tetrazol-
5-
yl]sulfanyl}methyl)ceph-
3-
em-
4-
carboxylate
Synonym
Source
(6
R
,7
R
)-
7-
{[(2
R
)-
2-
hydroxy-
2-
phenylacetyl]amino}-
8-
oxo-
3-
({[1-
(sulfonatomethyl)-
1
H
-
tetrazol-
5-
yl]sulfanyl}methyl)-
5-
thia-
1-
azabicyclo[4.2.0]oct-
2-
ene-
2-
carboxylate
IUPAC
Registry Number
Type
Source
8372103
Beilstein Registry Number
Beilstein
Last Modified
15 May 2009