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CHEBI:17146 - anhydrotetracycline

ChEBI IDCHEBI:17146
ChEBI Nameanhydrotetracycline
Stars
Secondary ChEBI IDsCHEBI:2728, CHEBI:13833, CHEBI:22559
Last Modified21 November 2019
DownloadsMolfile
FormulaC22H22N2O7
Net Charge0
Average Mass426.425
Monoisotopic Mass426.14270
SMILES[H][C@@]12Cc3c(c(O)c4c(O)cccc4c3C)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
InChIInChI=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
InChIKeyCXCVEERYMJZMMM-DOCRCCHOSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 
(4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
Synonym  Source
AnhydrotetracyclineKEGG COMPOUND
Manual XrefsDatabases
C02811KEGG COMPOUND
C02811KEGG COMPOUND
TDCPDBeChem