EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201750 - 4-Epianhydrotetracycline hydrochloride

ChEBI IDCHEBI:201750
ChEBI Name4-Epianhydrotetracycline hydrochloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22N2O7.HCl
Net Charge0
Average Mass462.886
Monoisotopic Mass462.11938
SMILESCc1c2c(c(O)c3c(O)cccc13)C(=O)C1(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C1C2.Cl
InChIInChI=1S/C22H22N2O7.ClH/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;/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30);1H
InChIKeySPFAOPCHYIJPHJ-UHFFFAOYSA-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)
4-Epianhydrotetracycline hydrochloride (CHEBI:201750) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4R,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
Manual XrefsDatabases
58190550ChemSpider