(1S,10S,10aS)-3-(CONH2)-9-Cl-1-(Me2N)-3,3a,4,10-(HO)4-10-Me-2,5-dioxo-1H,10aH,11H,11aH-cyclopenta[b]anthracen-6-olate (CHEBI:144647)

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CHEBI:144647 - (1S,10S,10aS)-3-(CONH₂)-9-Cl-1-(Me₂N)-3,3a,4,10-(HO)₄-10-Me-2,5-dioxo-1H,10aH,11H,11aH-cyclopenta[b]anthracen-6-olate

Default Structure

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ChEBI ID	CHEBI:144647
ChEBI Name	(1S,10S,10aS)-3-(CONH₂)-9-Cl-1-(Me₂N)-3,3a,4,10-(HO)₄-10-Me-2,5-dioxo-1H,10aH,11H,11aH-cyclopenta[b]anthracen-6-olate
Stars
ASCII Name	(1S,10S,10aS)-3-(CONH2)-9-Cl-1-(Me2N)-3,3a,4,10-(HO)4-10-Me-2,5-dioxo-1H,10aH,11H,11aH-cyclopenta[b]anthracen-6-olate
Definition	Product of the enzymatic hydroxylation of 4a of 7-chlorotetracycline (chebi:133598). Depicted in fig. 4 of the reference
Last Modified	28 February 2024
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C21H22ClN2O8
Net Charge	-1
Average Mass	465.866
Monoisotopic Mass	465.10702
SMILES	[H][C@]12CC3[C@H](N(C)C)C(=O)C(O)(C(N)=O)C3(O)C(O)=C1C(=O)c1c([O-])ccc(Cl)c1[C@@]2(C)O
InChI	InChI=1S/C21H23ClN2O8/c1-19(30)7-6-8-14(24(2)3)17(28)21(32,18(23)29)20(8,31)16(27)11(7)15(26)12-10(25)5-4-9(22)13(12)19/h4-5,7-8,14,25,27,30-32H,6H2,1-3H3,(H2,23,29)/p-1/t7-,8?,14-,19-,20?,21?/m0/s1
InChIKey	IJKKFSRYRZQEBJ-VSSGKYIQSA-M

ChEBI Ontology

Outgoing Relation(s)
	(1S,10S,10aS)-3-(CONH₂)-9-Cl-1-(Me₂N)-3,3a,4,10-(HO)₄-10-Me-2,5-dioxo-1H,10aH,11H,11aH-cyclopenta[b]anthracen-6-olate (CHEBI:144647) is a organic anion (CHEBI:25696)

UniProt Name	Source
(1S,10S,10aS)-3-(CONH₂)-9-Cl-1-(Me₂N)-3,3a,4,10-(HO)₄-10-Me-2,5-dioxo-1H,10aH,11H,11aH-cyclopenta[b]anthracen-6-olate	UniProt

Citations