EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223799 - Beauverichelin A

ChEBI IDCHEBI:223799
ChEBI NameBeauverichelin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H82N6O23
Net Charge0
Average Mass1123.214
Monoisotopic Mass1122.54313
SMILESCO[C@H]1[C@H](O)[C@H](O)[C@H](OCC/C(C)=C/C(=O)N(O)CCC[C@@H]2NC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCOC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCO[C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@@H]3O)[N+](C)(C)[O-])NC2=O)O[C@@H]1CO
InChIInChI=1S/C49H82N6O23/c1-28(14-20-74-47(67)33(55(4,5)71)13-10-19-54(70)38(60)25-30(3)16-22-76-49-42(64)40(62)44(73-7)35(27-57)78-49)23-36(58)52(68)17-8-11-31-45(65)51-32(46(66)50-31)12-9-18-53(69)37(59)24-29(2)15-21-75-48-41(63)39(61)43(72-6)34(26-56)77-48/h23-25,31-35,39-44,48-49,56-57,61-64,68-70H,8-22,26-27H2,1-7H3,(H,50,66)(H,51,65)/b28-23+,29-24+,30-25+/t31-,32-,33-,34+,35+,39+,40+,41-,42-,43+,44+,48+,49+/m0/s1
InChIKeyWTKMZVVKSUGYQD-HJOVNRNHSA-N
Species of MetaboliteComponentSourceComments
Beauveria bassiana (ncbitaxon:176275) - PubMed (32058711)
ChEBI Ontology
Outgoing Relation(s)
Beauverichelin A (CHEBI:223799) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S)-5-[[(E)-5-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]-1-[(E)-5-[3-[(2S,5S)-5-[3-[[(E)-5-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-methyl-5-oxopent-3-enoxy]-N,N-dimethyl-1-oxopentan-2-amine oxide