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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:77932 - tetracycline zwitterion
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ChEBI Ontology
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ChEBI Name
tetracycline zwitterion
ChEBI ID
CHEBI:77932
Definition
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of tetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C22H24N2O8
Net Charge
0
Average Mass
444.43460
Monoisotopic Mass
444.15327
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)
/t9-
,10-
,15-
,21+,22-
/m0/s1
InChIKey
OFVLGDICTFRJMM-WESIUVDSSA-N
SMILES
C[NH+](C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-])C(=O)c1c(O)cccc1[C@@]3(C)O
Roles Classification
Biological Role
(s):
antibacterial drug
A drug used to treat or prevent bacterial infections.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antiprotozoal drug
Any antimicrobial drug which is used to treat or prevent protozoal infections.
protein synthesis inhibitor
A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
tetracyclines
)
Application
(s):
antibacterial drug
A drug used to treat or prevent bacterial infections.
antiprotozoal drug
Any antimicrobial drug which is used to treat or prevent protozoal infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
tetracycline zwitterion (
CHEBI:77932
)
has role
antibacterial drug (
CHEBI:36047
)
tetracycline zwitterion (
CHEBI:77932
)
has role
antimicrobial agent (
CHEBI:33281
)
tetracycline zwitterion (
CHEBI:77932
)
has role
antiprotozoal drug (
CHEBI:35820
)
tetracycline zwitterion (
CHEBI:77932
)
has role
protein synthesis inhibitor (
CHEBI:48001
)
tetracycline zwitterion (
CHEBI:77932
)
is a
a tetracycline zwitterion (
CHEBI:144644
)
tetracycline zwitterion (
CHEBI:77932
)
is a
zwitterion (
CHEBI:27369
)
tetracycline zwitterion (
CHEBI:77932
)
is conjugate acid of
tetracycline(1−) (
CHEBI:71392
)
tetracycline zwitterion (
CHEBI:77932
)
is conjugate base of
tetracycline (
CHEBI:27902
)
Incoming
tetracycline (
CHEBI:27902
)
is conjugate acid of
tetracycline zwitterion (
CHEBI:77932
)
tetracycline(1−) (
CHEBI:71392
)
is conjugate base of
tetracycline zwitterion (
CHEBI:77932
)
IUPAC Name
(1
S
,4a
S
,11
S
,11a
S
,12a
S
)-
3-
carbamoyl-
1-
(dimethylazaniumyl)-
4a,5,7,11-
tetrahydroxy-
11-
methyl-
4,6-
dioxo-
1,4,4a,6,11,11a,12,12a-
octahydrotetracen-
2-
olate
Synonym
Source
tetracycline
UniProt
Last Modified
10 June 2014