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ChEBI
> Main
CHEBI:134655 - desmethylanhydrotetracycline
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ChEBI Name
desmethylanhydrotetracycline
ChEBI ID
CHEBI:134655
Definition
A member of the class of tetracyclines that is anhydrotetracycline in which one of the methyl groups attached to the nitrogen has been replaced by hydrogen.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H20N2O7
Net Charge
0
Average Mass
412.394
Monoisotopic Mass
412.12705
InChI
InChI=1S/C21H20N2O7/c1-
7-
8-
4-
3-
5-
11(24)
12(8)
16(25)
13-
9(7)
6-
10-
15(23-
2)
17(26)
14(20(22)
29)
19(28)
21(10,30)
18(13)
27/h3-
5,10,15,23-
26,30H,6H2,1-
2H3,(H2,22,29)
/t10-
,15-
,21-
/m0/s1
InChIKey
IIHPMGDKNZPGON-QYAMTVPHSA-N
SMILES
[C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2NC)O)=O)O)[H]
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
desmethylanhydrotetracycline (
CHEBI:134655
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
desmethylanhydrotetracycline (
CHEBI:134655
)
is a
tetracyclines (
CHEBI:26895
)
desmethylanhydrotetracycline (
CHEBI:134655
)
is tautomer of
desmethylanhydrotetracycline zwitterion (
CHEBI:133696
)
Incoming
desmethylanhydrotetracycline zwitterion (
CHEBI:133696
)
is tautomer of
desmethylanhydrotetracycline (
CHEBI:134655
)
IUPAC Name
(4
S
,4a
S
,12a
S
)-
3,10,11,12a-
tetrahydroxy-
6-
methyl-
4-
(methylamino)-
1,12-
dioxo-
1,4,4a,5,12,12a-
hexahydrotetracene-
2-
carboxamide
Synonyms
Sources
4-Methylamino-4-de(dimethylamino)anhydrotetracycline
KEGG COMPOUND
4-methylamino-4-dedimethylamino-anhydrotetracycline
MetaCyc
N
-desmethylanhydrotetracycline
ChEBI
Manual Xrefs
Databases
C21436
KEGG COMPOUND
CPD-19271
MetaCyc
View more database links
Registry Number
Type
Source
18554732
Reaxys Registry Number
Reaxys
Last Modified
07 February 2018