CHEBI:134655 - desmethylanhydrotetracycline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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the class of tetracyclines that is anhydrotetracycline in which one of the methyl groups attached to the nitrogen has been replaced by hydrogen.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.
Supplier Information
Download Molfile XML SDF
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
(4S,4aS,12aS)-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