CHEBI:190249 - 4-Amino-anhydrotetracycline

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ChEBI Name 4-Amino-anhydrotetracycline
ChEBI ID CHEBI:190249
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18N2O7
Net Charge 0
Average Mass 398.371
Monoisotopic Mass 398.11140
InChI InChI=1S/C20H18N2O7/c1-6-7-3-2-4-10(23)11(7)15(24)12-8(6)5-9-14(21)16(25)13(19(22)28)18(27)20(9,29)17(12)26/h2-4,9,14,23-24,27,29H,5,21H2,1H3,(H2,22,28)/t9-,14-,20-/m0/s1
InChIKey IBTVIYOZSFOEBW-OWYOPICZSA-N
SMILES O[C@@]12[C@@](CC3=C(C1=O)C(O)=C4C(=C3C)C=CC=C4O)([C@H](N)C(=O)C(=C2O)C(=O)N)[H]
Metabolite of Species Details
Synechococcus elongatus PCC 7942 (NCBI:txid32046) Found in cell culture (BTO:0000214). See: MetaboLights Study
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 4-Amino-anhydrotetracycline (CHEBI:190249) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4S,4aS,12aR)-4-amino-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
Manual Xref Database
C06654 KEGG COMPOUND
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