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ChEBI
> Main
CHEBI:59217 - cephapirin(1−)
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ChEBI Name
cephapirin(1−)
ChEBI ID
CHEBI:59217
ChEBI ASCII Name
cephapirin(1-)
Definition
The anion of cephapirin obtained by removal of a proton form the carboxylic acid group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H16N3O6S2
Net Charge
-1
Average Mass
422.45500
Monoisotopic Mass
422.04860
InChI
InChI=1S/C17H17N3O6S2/c1-
9(21)
26-
6-
10-
7-
28-
16-
13(15(23)
20(16)
14(10)
17(24)
25)
19-
12(22)
8-
27-
11-
2-
4-
18-
5-
3-
11/h2-
5,13,16H,6-
8H2,1H3,(H,19,22)
(H,24,25)
/p-
1/t13-
,16-
/m1/s1
InChIKey
UQLLWWBDSUHNEB-CZUORRHYSA-M
SMILES
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C([O-])=O
ChEBI Ontology
Outgoing
cephapirin(1−) (
CHEBI:59217
)
is a
cephalosporin carboxylic acid anion (
CHEBI:52440
)
cephapirin(1−) (
CHEBI:59217
)
is conjugate base of
cephapirin (
CHEBI:554446
)
Incoming
cephapirin sodium (
CHEBI:3545
)
has part
cephapirin(1−) (
CHEBI:59217
)
cephapirin (
CHEBI:554446
)
is conjugate acid of
cephapirin(1−) (
CHEBI:59217
)
IUPAC Name
(6
R
,7
R
)-
3-
[(acetyloxy)methyl]-
8-
oxo-
7-
{[(pyridin-
4-
ylsulfanyl)acetyl]amino}-
5-
thia-
1-
azabicyclo[4.2.0]oct-
2-
ene-
2-
carboxylate
Synonyms
Sources
(6
R
,7
R
)-
3-
(hydroxymethyl)-
8-
oxo-
7-
(2-
(4-
pyridylthio)acetamido)-
5-
thia-
1-
azabicyclo(4.2.0)oct-
2-
ene-
2-
carboxylate acetate
ChEBI
7-(pyrid-4-ylthioacetamido)cephalosporanate
ChEBI
cephapirin anion
ChEBI
Registry Number
Type
Source
4894074
Beilstein Registry Number
Beilstein
Last Modified
04 May 2010