Aminoansamycin E (CHEBI:210077)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210077 - Aminoansamycin E

Take structure to advanced search

ChEBI ID	CHEBI:210077
ChEBI Name	Aminoansamycin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H24N2O7
Net Charge	0
Average Mass	440.452
Monoisotopic Mass	440.15835
SMILES	C[C@H]1C(=O)Nc2cc(O)cc(c2O)[C@@H](Nc2cc(O)cc(C(=O)O)c2)C/C=C/C=C/[C@H]1O
InChI	InChI=1S/C23H24N2O7/c1-12-20(28)6-4-2-3-5-18(24-14-7-13(23(31)32)8-15(26)9-14)17-10-16(27)11-19(21(17)29)25-22(12)30/h2-4,6-12,18,20,24,26-29H,5H2,1H3,(H,25,30)(H,31,32)/b3-2+,6-4+/t12-,18+,20-/m1/s1
InChIKey	SASOXSBFNPWQQA-OQJWUKIDSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies S35 (ncbitaxon:1456732)	-	PubMed (31525059)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Aminoansamycin E (CHEBI:210077) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
3-hydroxy-5-[[(4R,5R,6E,8E,11S)-5,14,16-trihydroxy-4-methyl-3-oxo-2-azabicyclo[10.3.1]hexadeca-1(15),6,8,12(16),13-pentaen-11-yl]amino]benzoic acid