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CHEBI:223830 - (3S)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-N,3-dihydroxy-N-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpentanamide

ChEBI IDCHEBI:223830
ChEBI Name(3S)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-N,3-dihydroxy-N-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpentanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50N4O14
Net Charge0
Average Mass678.733
Monoisotopic Mass678.33235
SMILESCOC1C(CO)OC(OCC[C@](C)(O)CC(=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/C29H50N4O14/c1-17(8-12-34)14-21(36)32(43)10-4-6-18-26(40)31-19(27(41)30-18)7-5-11-33(44)22(37)15-29(2,42)9-13-46-28-24(39)23(38)25(45-3)20(16-35)47-28/h14,18-20,23-25,28,34-35,38-39,42-44H,4-13,15-16H2,1-3H3,(H,30,41)(H,31,40)/b17-14+/t18-,19-,20?,23?,24?,25?,28?,29-/m0/s1
InChIKeyOMYKJPHLQUVKND-PNSQMJHOSA-N
Species of MetaboliteComponentSourceComments
Beauveria bassiana (ncbitaxon:176275) - PubMed (32058711)
ChEBI Ontology
Outgoing Relation(s)
(3S)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-N,3-dihydroxy-N-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpentanamide (CHEBI:223830) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(3S)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-N,3-dihydroxy-N-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpentanamide