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ChEBI
> Main
CHEBI:81649 - 5a,11a-Dehydrochlortetracycline
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ChEBI Ontology
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ChEBI Name
5a,11a-Dehydrochlortetracycline
ChEBI ID
CHEBI:81649
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C22H21ClN2O8
Net Charge
0
Average Mass
476.86400
Monoisotopic Mass
476.09864
InChI
InChI=1S/C22H21ClN2O8/c1-
21(32)
7-
6-
8-
15(25(2)
3)
17(28)
13(20(24)
31)
19(30)
22(8,33)
18(29)
11(7)
16(27)
12-
10(26)
5-
4-
9(23)
14(12)
21/h4-
5,8,15,26,28,32-
33H,6H2,1-
3H3,(H2,24,31)
/t8-
,15-
,21-
,22-
/m0/s1
InChIKey
ZWVGXYMEBVFNGR-GUQUGOGCSA-N
SMILES
CN(C)[C@H]1[C@@H]2CC3=C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)=C1O
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
5a,11a-Dehydrochlortetracycline (
CHEBI:81649
)
is a
tetracyclines (
CHEBI:26895
)
Synonyms
Sources
5a,11a-Dehydro-7-chlorotetracycline
KEGG COMPOUND
Dehydrochlortetracycline
KEGG COMPOUND
Manual Xref
Database
C18298
KEGG COMPOUND
View more database links