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ChEBI
> Main
CHEBI:17146 - anhydrotetracycline
Main
ChEBI Ontology
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ChEBI Name
anhydrotetracycline
ChEBI ID
CHEBI:17146
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:13833, CHEBI:22559, CHEBI:2728
Supplier Information
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Molfile
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Formulae
C22H22N2O7
C22H22N2O7
Net Charge
0
Average Mass
426.425
Monoisotopic Mass
426.14270
InChI
InChI=1S/C22H22N2O7/c1-
8-
9-
5-
4-
6-
12(25)
13(9)
17(26)
14-
10(8)
7-
11-
16(24(2)
3)
18(27)
15(21(23)
30)
20(29)
22(11,31)
19(14)
28/h4-
6,11,16,25-
27,31H,7H2,1-
3H3,(H2,23,30)
/t11-
,16-
,22-
/m0/s1
InChIKey
CXCVEERYMJZMMM-DOCRCCHOSA-N
SMILES
[C@@]12([C@](C(C=3C(=C4C(=CC=CC4=C(C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2N(C)C)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
anhydrotetracycline (
CHEBI:17146
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
anhydrotetracycline (
CHEBI:17146
)
is a
tetracyclines (
CHEBI:26895
)
anhydrotetracycline (
CHEBI:17146
)
is tautomer of
anhydrotetracycline zwitterion (
CHEBI:58032
)
Incoming
4-de(dimethylamino)-4-oxoanhydrotetracycline (
CHEBI:28408
)
has functional parent
anhydrotetracycline (
CHEBI:17146
)
anhydrotetracycline zwitterion (
CHEBI:58032
)
is tautomer of
anhydrotetracycline (
CHEBI:17146
)
IUPAC Name
(4
S
,4a
S
,12a
S
)-
4-
(dimethylamino)-
3,10,11,12a-
tetrahydroxy-
6-
methyl-
1,12-
dioxo-
1,4,4a,5,12,12a-
hexahydrotetracene-
2-
carboxamide
Synonym
Source
Anhydrotetracycline
KEGG COMPOUND
Manual Xrefs
Databases
C02811
KEGG COMPOUND
TDC
PDBeChem
View more database links
Last Modified
21 November 2019