CHEBI:201752 - Anhydrotetracycline hydrochloride

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ChEBI Name Anhydrotetracycline hydrochloride
ChEBI ID CHEBI:201752
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22N2O7.ClH
Net Charge 0
Average Mass 462.880
Monoisotopic Mass 462.11938
InChI InChI=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
InChIKey SPFAOPCHYIJPHJ-UHFFFAOYSA-N
SMILES Cl.O=C1C2=C(O)C3=C(O)C=CC=C3C(=C2CC4C1(O)C(O)=C(C(=O)C4N(C)C)C(=O)N)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 )
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ChEBI Ontology
Outgoing Anhydrotetracycline hydrochloride (CHEBI:201752) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
Manual Xref Database
58190573 ChemSpider
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