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CHEBI:223810 - (3S)-N,3,5-trihydroxy-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:223810
ChEBI Name(3S)-N,3,5-trihydroxy-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
FormulaC22H38N4O9
Net Charge0
Average Mass502.565
Monoisotopic Mass502.26388
SMILESC/C(=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)C[C@@](C)(O)CCO)NC1=O)CCO
InChIInChI=1S/C22H38N4O9/c1-15(7-11-27)13-18(29)25(34)9-3-5-16-20(31)24-17(21(32)23-16)6-4-10-26(35)19(30)14-22(2,33)8-12-28/h13,16-17,27-28,33-35H,3-12,14H2,1-2H3,(H,23,32)(H,24,31)/b15-13+/t16-,17-,22-/m0/s1
InChIKeyQDBUZKFTUGZVOE-MAUBJVOJSA-N
Species of MetaboliteComponentSourceComments
Beauveria bassiana (ncbitaxon:176275) - PubMed (32058711)
ChEBI Ontology
Outgoing Relation(s)
(3S)-N,3,5-trihydroxy-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:223810) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S)-N,3,5-trihydroxy-N-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpentanamide