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CHEBI:198288 - Neoansamycin A

ChEBI IDCHEBI:198288
ChEBI NameNeoansamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO7
Net Charge0
Average Mass523.626
Monoisotopic Mass523.25700
SMILESCCCCC[C@H]1/C=C(/C)C(=O)[C@@H](OC)CCC[C@@H](CC)C(=O)c2c(O)ccc3c2C(=O)C=C(NC1=O)C3=O
InChIInChI=1S/C30H37NO7/c1-5-7-8-10-19-15-17(3)27(34)24(38-4)12-9-11-18(6-2)28(35)26-22(32)14-13-20-25(26)23(33)16-21(29(20)36)31-30(19)37/h13-16,18-19,24,32H,5-12H2,1-4H3,(H,31,37)/b17-15-/t18-,19+,24+/m1/s1
InChIKeyWIIONYYYOWZGRK-AZJPFOGKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies LZ35 (ncbitaxon:1245024) - PubMed (26167742)
ChEBI Ontology
Outgoing Relation(s)
Neoansamycin A (CHEBI:198288) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(7R,11S,13Z,15S)-7-ethyl-4-hydroxy-11-methoxy-13-methyl-15-pentyl-17-azatricyclo[16.3.1.05,21]docosa-1(21),2,4,13,18-pentaene-6,12,16,20,22-pentone