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ChEBI
> Main
CHEBI:133598 - chlortetracycline(1−)
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ChEBI Name
chlortetracycline(1−)
ChEBI ID
CHEBI:133598
ChEBI ASCII Name
chlortetracycline(1-)
Definition
An organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C22H22ClN2O8
Net Charge
-1
Average Mass
477.872
Monoisotopic Mass
477.10702
InChI
InChI=1S/C22H23ClN2O8/c1-
21(32)
7-
6-
8-
15(25(2)
3)
17(28)
13(20(24)
31)
19(30)
22(8,33)
18(29)
11(7)
16(27)
12-
10(26)
5-
4-
9(23)
14(12)
21/h4-
5,7-
8,15,26,28-
29,32-
33H,6H2,1-
3H3,(H2,24,31)
/p-
1/t7-
,8-
,15-
,21-
,22-
/m0/s1
InChIKey
CYDMQBQPVICBEU-XRNKAMNCSA-M
SMILES
C1=CC(=C2C(=C1Cl)
[C@@]
([C@@]
3(C(C2=O)
=C([C@]
4([C@@]
(C3)
([C@@H]
(C(=C(C4=O)
C(N)
=O)
[O-
]
)
[NH+]
(C)
C)
[H]
)
O)
O)
[H]
)
(C)
O)
[O-
]
ChEBI Ontology
Outgoing
chlortetracycline(1−) (
CHEBI:133598
)
is a
organic anion (
CHEBI:25696
)
chlortetracycline(1−) (
CHEBI:133598
)
is conjugate base of
chlortetracycline (
CHEBI:27644
)
Incoming
chlortetracycline (
CHEBI:27644
)
is conjugate acid of
chlortetracycline(1−) (
CHEBI:133598
)
IUPAC Name
(5
S
,5a
S
,6a
S
,7
S
,10a
S
)-
9-
carbamoyl-
4-
chloro-
7-
(dimethylazaniumyl)-
5,10a,11-
trihydroxy-
5-
methyl-
10,12-
dioxo-
5,5a,6,6a,7,10,10a,12-
octahydrotetracene-
1,8-
bis(olate)
Synonym
Source
7-chlorotetracycline
UniProt
Manual Xref
Database
CPD-19258
MetaCyc
View more database links
Last Modified
15 February 2017