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ChEBI
> Main
CHEBI:15808 - 12-dehydrotetracycline
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ChEBI Ontology
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ChEBI Name
12-dehydrotetracycline
ChEBI ID
CHEBI:15808
Definition
The 12-dehydro derivative of tetracycline.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11316, CHEBI:739, CHEBI:19136
Supplier Information
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Formula
C22H22N2O8
Net Charge
0
Average Mass
442.41876
Monoisotopic Mass
442.13762
InChI
InChI=1S/C22H22N2O8/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-
6,10,15,25,27,31-
32H,7H2,1-
3H3,(H2,23,30)
/t10-
,15-
,21+,22-
/m0/s1
InChIKey
DUAVZCXHIINBQU-ILGMQVKHSA-N
SMILES
[H][C@@]12CC3=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]2N(C)C
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
12-dehydrotetracycline (
CHEBI:15808
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
12-dehydrotetracycline (
CHEBI:15808
)
is a
tetracyclines (
CHEBI:26895
)
12-dehydrotetracycline (
CHEBI:15808
)
is tautomer of
12-dehydrotetracycline zwitterion (
CHEBI:57522
)
Incoming
12-dehydrotetracycline zwitterion (
CHEBI:57522
)
is tautomer of
12-dehydrotetracycline (
CHEBI:15808
)
IUPAC Name
(4
S
,4a
S
,6
S
,12a
S
)-
4-
dimethylamino-
3,6,10,12a-
tetrahydroxy-
6-
methyl-
1,11,12-
trioxo-
1,4,4a,5,6,11,12,12a-
octahydrotetracene-
2-
carboxamide
Synonyms
Sources
12-Dehydrotetracycline
KEGG COMPOUND
12-Dehydrotetracycline
KEGG COMPOUND
Manual Xref
Database
C03206
KEGG COMPOUND
View more database links
Last Modified
06 February 2018