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CHEBI:223825 - (E)-N-[3-[(2S,5S)-5-[3-[[(E)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N,5-dihydroxy-3-methylpent-2-enamide

ChEBI IDCHEBI:223825
ChEBI Name(E)-N-[3-[(2S,5S)-5-[3-[[(E)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N,5-dihydroxy-3-methylpent-2-enamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48N4O13
Net Charge0
Average Mass660.718
Monoisotopic Mass660.32179
SMILESCOC1C(CO)OC(OCC/C(C)=C/C(=O)N(O)CCC[C@@H]2NC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCO)NC2=O)C(O)C1O
InChIInChI=1S/C29H48N4O13/c1-17(8-12-34)14-22(36)32(42)10-4-6-19-27(40)31-20(28(41)30-19)7-5-11-33(43)23(37)15-18(2)9-13-45-29-25(39)24(38)26(44-3)21(16-35)46-29/h14-15,19-21,24-26,29,34-35,38-39,42-43H,4-13,16H2,1-3H3,(H,30,41)(H,31,40)/b17-14+,18-15+/t19-,20-,21?,24?,25?,26?,29?/m0/s1
InChIKeyFFRGZQDHAFHQNJ-YVHLNLNGSA-N
Species of MetaboliteComponentSourceComments
Beauveria bassiana (ncbitaxon:176275) - PubMed (32058711)
ChEBI Ontology
Outgoing Relation(s)
(E)-N-[3-[(2S,5S)-5-[3-[[(E)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N,5-dihydroxy-3-methylpent-2-enamide (CHEBI:223825) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(E)-N-[3-[(2S,5S)-5-[3-[[(E)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N,5-dihydroxy-3-methylpent-2-enamide