4-de(dimethylamino)-4-oxoanhydrotetracycline (CHEBI:28408)

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CHEBI:28408 - 4-de(dimethylamino)-4-oxoanhydrotetracycline

ChEBI ID	CHEBI:28408
ChEBI Name	4-de(dimethylamino)-4-oxoanhydrotetracycline
Stars
Definition	A member of the class of tetracyclines that is anhydrotetracycline in which the dimethylamino group at position 4 has been replaced by a keto group.
Secondary ChEBI IDs	CHEBI:1820, CHEBI:20356
Last Modified	23 March 2018
Downloads	Molfile

Formula	C20H15NO8
Net Charge	0
Average Mass	397.339
Monoisotopic Mass	397.07977
SMILES	[H][C@@]12Cc3c(c(O)c4c(O)cccc4c3C)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)C2=O
InChI	InChI=1S/C20H15NO8/c1-6-7-3-2-4-10(22)11(7)15(24)12-8(6)5-9-14(23)16(25)13(19(21)28)18(27)20(9,29)17(12)26/h2-4,9,22,24-25,29H,5H2,1H3,(H2,21,28)/t9-,20-/m0/s1
InChIKey	OJQSYBOSDDVFNO-LXGOIASLSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces coelicolor (ncbitaxon:1902)	-	PubMed (18422316)

Roles Classification

Biological Roles:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

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-de(dimethylamino)-4-oxoanhydrotetracycline (CHEBI:28408) has functional parent anhydrotetracycline (CHEBI:17146)
	4-de(dimethylamino)-4-oxoanhydrotetracycline (CHEBI:28408) has role bacterial metabolite (CHEBI:76969)
	4-de(dimethylamino)-4-oxoanhydrotetracycline (CHEBI:28408) is a tertiary α-hydroxy ketone (CHEBI:139592)
	4-de(dimethylamino)-4-oxoanhydrotetracycline (CHEBI:28408) is a tetracyclines (CHEBI:26895)
	4-de(dimethylamino)-4-oxoanhydrotetracycline (CHEBI:28408) is conjugate acid of 4-de(dimethylamino)-4-oxoanhydrotetracycline(1−) (CHEBI:132737)
Incoming Relation(s)
Incoming Relation(s)	4-de(dimethylamino)-4-oxoanhydrotetracycline(1−) (CHEBI:132737) is conjugate base of 4-de(dimethylamino)-4-oxoanhydrotetracycline (CHEBI:28408)

IUPAC Name
(4aR,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide

Synonyms	Source
4-Dedimethylamino-4-oxo-anhydrotetracycline	KEGG COMPOUND
4-Keto-ATC	KEGG COMPOUND
4-Ketoanhydrotetracycline	KEGG COMPOUND

Manual Xrefs	Databases
C06627	KEGG COMPOUND
LMPK07000007	LIPID MAPS
CPD-19272	MetaCyc

Registry Numbers	Sources
Reaxys:2684416	Reaxys

Citations