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CHEBI:50862 - azinomycin B

ChEBI IDCHEBI:50862
ChEBI Nameazinomycin B
Stars
Last Modified16 October 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC31H33N3O11
Net Charge0
Average Mass623.615
Monoisotopic Mass623.21151
SMILES[H][C@@]12CN1/C(=C(/NC(=O)[C@@H](OC(=O)c1cc(OC)cc3c(C)cccc13)[C@]1(C)CO1)C(=O)N/C(=C\O)C(C)=O)[C@@H](OC(C)=O)[C@@H]2O
InChIInChI=1S/C31H33N3O11/c1-14-7-6-8-18-19(14)9-17(42-5)10-20(18)30(41)45-27(31(4)13-43-31)29(40)33-23(28(39)32-21(12-35)15(2)36)24-26(44-16(3)37)25(38)22-11-34(22)24/h6-10,12,22,25-27,35,38H,11,13H2,1-5H3,(H,32,39)(H,33,40)/b21-12-,24-23+/t22-,25+,26+,27+,31-,34-/m0/s1
InChIKeyQIKVYJOCQXXRSJ-BHUJXPEISA-N
ChEBI Ontology
Outgoing Relation(s)
azinomycin B (CHEBI:50862) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-{[(1Z)-1-(hydroxymethylidene)-2-oxopropyl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl 3-methoxy-5-methylnaphthalene-1-carboxylate
Registry NumbersSources
Beilstein:9537192Beilstein