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CHEBI:59358 - cefotetan(2−)
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ChEBI Name
cefotetan(2−)
ChEBI ID
CHEBI:59358
ChEBI ASCII Name
cefotetan(2-)
Definition
The dianion formed by removal of a proton from each of the carboxylic acid groups of cefotetan.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H15N7O8S4
Net Charge
-2
Average Mass
573.60300
Monoisotopic Mass
572.98759
InChI
InChI=1S/C17H17N7O8S4/c1-
23-
16(20-
21-
22-
23)
34-
4-
5-
3-
33-
15-
17(32-
2,14(31)
24(15)
7(5)
11(29)
30)
19-
9(26)
13-
35-
12(36-
13)
6(8(18)
25)
10(27)
28/h13,15H,3-
4H2,1-
2H3,(H2,18,25)
(H,19,26)
(H,27,28)
(H,29,30)
/p-
2/b12-
6-
/t13?,15-
,17+/m1/s1
InChIKey
SRZNHPXWXCNNDU-IXOPCIAXSA-L
SMILES
[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C([O-])=O)OC)C([O-])=O
ChEBI Ontology
Outgoing
cefotetan(2−) (
CHEBI:59358
)
is a
dicarboxylic acid dianion (
CHEBI:28965
)
cefotetan(2−) (
CHEBI:59358
)
is conjugate base of
cefotetan (
CHEBI:3499
)
Incoming
cefotetan disodium (
CHEBI:34617
)
has part
cefotetan(2−) (
CHEBI:59358
)
cefotetan (
CHEBI:3499
)
is conjugate acid of
cefotetan(2−) (
CHEBI:59358
)
IUPAC Names
(6
R
,7
S
)-
7-
({[4-
(2-
amino-
1-
carboxylato-
2-
oxoethylidene)-
1,3-
dithietan-
2-
yl]carbonyl}amino)-
7-
methoxy-
3-
{[(1-
methyl-
1
H
-
tetrazol-
5-
yl)sulfanyl]methyl}-
8-
oxo-
5-
thia-
1-
azabicyclo[4.2.0]oct-
2-
ene-
2-
carboxylate
7β-
({[4-
(2-
amino-
1-
carboxylato-
2-
oxoethylidene)-
1,3-
dithietan-
2-
yl]carbonyl}amino)-
7α-
methoxy-
3-
{[(1-
methyl-
1
H
-
tetrazol-
5-
yl)sulfanyl]methyl}-
3,4-
didehydrocepham-
4-
carboxylate
Synonym
Source
cefotetan dianion
ChEBI
Registry Number
Type
Source
5701969
Beilstein Registry Number
Beilstein
Last Modified
06 May 2010