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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:71392 - tetracycline(1−)
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ChEBI Ontology
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ChEBI Name
tetracycline(1−)
ChEBI ID
CHEBI:71392
ChEBI ASCII Name
tetracycline(1-)
Definition
An organic anion that is the conjugate base of tetracycline obtained by deprotonation of the two enolic hydroxy groups and protonation of the tertiary amino group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Eugeni Belda
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Formula
C22H23N2O8
Net Charge
-1
Average Mass
443.42660
Monoisotopic Mass
443.14599
InChI
InChI=1S/C22H24N2O8/c1-
21(31)
8-
5-
4-
6-
11(25)
12(8)
16(26)
13-
9(21)
7-
10-
15(24(2)
3)
17(27)
14(20(23)
30)
19(29)
22(10,32)
18(13)
28/h4-
6,9-
10,15,25,27-
28,31-
32H,7H2,1-
3H3,(H2,23,30)
/p-
1/t9-
,10-
,15-
,21+,22-
/m0/s1
InChIKey
OFVLGDICTFRJMM-WESIUVDSSA-M
SMILES
[H]
[C@@]
12C[C@@]
3([H]
)
C(C(=O)
c4c(O)
cccc4[C@@]
3(C)
O)
=C([O-
]
)
[C@]
1(O)
C(=O)
C(C(N)
=O)
=C([O-
]
)
[C@H]
2[NH+]
(C)
C
ChEBI Ontology
Outgoing
tetracycline(1−) (
CHEBI:71392
)
is a
organic anion (
CHEBI:25696
)
tetracycline(1−) (
CHEBI:71392
)
is conjugate base of
tetracycline (
CHEBI:27902
)
tetracycline(1−) (
CHEBI:71392
)
is conjugate base of
tetracycline zwitterion (
CHEBI:77932
)
Incoming
tetracycline (
CHEBI:27902
)
is conjugate acid of
tetracycline(1−) (
CHEBI:71392
)
tetracycline zwitterion (
CHEBI:77932
)
is conjugate acid of
tetracycline(1−) (
CHEBI:71392
)
IUPAC Name
(1
S
,4a
S
,11
S
,11a
S
,12a
S
)-
3-
carbamoyl-
1-
(dimethylazaniumyl)-
4a,7,11-
trihydroxy-
11-
methyl-
4,6-
dioxo-
1,4,4a,6,11,11a,12,12a-
octahydrotetracene-
2,5-
diolate
Synonym
Source
tetracycline anion
ChEBI
Last Modified
10 June 2014