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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52439 - cefmetazole(1−)
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ChEBI Ontology
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ChEBI Name
cefmetazole(1−)
ChEBI ID
CHEBI:52439
ChEBI ASCII Name
cefmetazole(1-)
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H16N7O5S3
Net Charge
-1
Average Mass
470.52600
Monoisotopic Mass
470.03805
InChI
InChI=1S/C15H17N7O5S3/c1-
21-
14(18-
19-
20-
21)
30-
6-
8-
5-
29-
13-
15(27-
2,17-
9(23)
7-
28-
4-
3-
16)
12(26)
22(13)
10(8)
11(24)
25/h13H,4-
7H2,1-
2H3,(H,17,23)
(H,24,25)
/p-
1/t13-
,15+/m1/s1
InChIKey
SNBUBQHDYVFSQF-HIFRSBDPSA-M
SMILES
[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C([O-])=O
ChEBI Ontology
Outgoing
cefmetazole(1−) (
CHEBI:52439
)
is a
cephalosporin carboxylic acid anion (
CHEBI:52440
)
cefmetazole(1−) (
CHEBI:52439
)
is conjugate base of
cefmetazole (
CHEBI:3489
)
Incoming
cefmetazole sodium (
CHEBI:3490
)
has part
cefmetazole(1−) (
CHEBI:52439
)
cefmetazole (
CHEBI:3489
)
is conjugate acid of
cefmetazole(1−) (
CHEBI:52439
)
IUPAC Name
7β-
{[(cyanomethyl)sulfanyl]acetamido}-
7α-
methoxy-
3-
{[(1-
methyl-
1
H
-
tetrazol-
5-
yl)sulfanyl]methyl}ceph-
3-
em-
4-
carboxylate
Synonym
Source
(6
R
,7
S
)-
7-
({[(cyanomethyl)sulfanyl]acetyl}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
IUPAC
Registry Number
Type
Source
5406422
Beilstein Registry Number
Beilstein
Last Modified
13 March 2018