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CHEBI:77906 - minocycline zwitterion
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ChEBI Ontology
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ChEBI Name
minocycline zwitterion
ChEBI ID
CHEBI:77906
Definition
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of minocycline. 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
C23H27N3O7
Net Charge
0
Average Mass
457.47640
Monoisotopic Mass
457.18490
InChI
InChI=1S/C23H27N3O7/c1-
25(2)
12-
5-
6-
13(27)
15-
10(12)
7-
9-
8-
11-
17(26(3)
4)
19(29)
16(22(24)
32)
21(31)
23(11,33)
20(30)
14(9)
18(15)
28/h5-
6,9,11,17,27,29-
30,33H,7-
8H2,1-
4H3,(H2,24,32)
/t9-
,11-
,17-
,23-
/m0/s1
InChIKey
DYKFCLLONBREIL-KVUCHLLUSA-N
SMILES
CN(C)c1ccc(O)c2C(=O)C3=C(O)[C@@]4(O)[C@@H](C[C@@H]3Cc12)[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C4=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
tetracyclines
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
minocycline zwitterion (
CHEBI:77906
)
is a
a tetracycline zwitterion (
CHEBI:144644
)
minocycline zwitterion (
CHEBI:77906
)
is a
zwitterion (
CHEBI:27369
)
minocycline zwitterion (
CHEBI:77906
)
is conjugate acid of
minocycline(1−) (
CHEBI:71337
)
minocycline zwitterion (
CHEBI:77906
)
is tautomer of
minocycline (
CHEBI:50694
)
Incoming
minocycline(1−) (
CHEBI:71337
)
is conjugate base of
minocycline zwitterion (
CHEBI:77906
)
minocycline (
CHEBI:50694
)
is tautomer of
minocycline zwitterion (
CHEBI:77906
)
IUPAC Name
(1
S
,4a
S
,11a
R
,12a
S
)-
3-
carbamoyl-
10-
(dimethylamino)-
1-
(dimethylazaniumyl)-
4a,5,7-
trihydroxy-
4,6-
dioxo-
1,4,4a,6,11,11a,12,12a-
octahydrotetracen-
2-
olate
Synonym
Source
minocycline
UniProt
Last Modified
11 June 2014