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CHEBI:210071 - Aminoansamycin D

ChEBI IDCHEBI:210071
ChEBI NameAminoansamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24N2O6
Net Charge0
Average Mass424.453
Monoisotopic Mass424.16344
SMILESC[C@H]1C(=O)Nc2cc(O)cc(c2O)[C@@H](Nc2ccccc2C(=O)O)C/C=C/C=C/[C@H]1O
InChIInChI=1S/C23H24N2O6/c1-13-20(27)10-4-2-3-8-18(24-17-9-6-5-7-15(17)23(30)31)16-11-14(26)12-19(21(16)28)25-22(13)29/h2-7,9-13,18,20,24,26-28H,8H2,1H3,(H,25,29)(H,30,31)/b3-2+,10-4+/t13-,18+,20-/m1/s1
InChIKeyOWDJOZOLRGWRFL-VFIWSIKLSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies S35 (ncbitaxon:1456732) - PubMed (31525059)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Aminoansamycin D (CHEBI:210071) is a aminobenzoic acid (CHEBI:22495)
IUPAC Name 
2-[[(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