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CHEBI:223836 - (3S)-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-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

ChEBI IDCHEBI:223836
ChEBI Name(3S)-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-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48N4O14
Net Charge0
Average Mass664.706
Monoisotopic Mass664.31670
SMILESC/C(=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)C[C@@](C)(O)CCOC2OC(CO)C(O)C(O)C2O)NC1=O)CCO
InChIInChI=1S/C28H48N4O14/c1-16(7-11-33)13-20(35)31(43)9-3-5-17-25(40)30-18(26(41)29-17)6-4-10-32(44)21(36)14-28(2,42)8-12-45-27-24(39)23(38)22(37)19(15-34)46-27/h13,17-19,22-24,27,33-34,37-39,42-44H,3-12,14-15H2,1-2H3,(H,29,41)(H,30,40)/b16-13+/t17-,18-,19?,22?,23?,24?,27?,28-/m0/s1
InChIKeyHEJIKSRLSZBPTF-JAOKHAKESA-N
Species of MetaboliteComponentSourceComments
Beauveria bassiana (ncbitaxon:176275) - PubMed (32058711)
ChEBI Ontology
Outgoing Relation(s)
(3S)-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-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide (CHEBI:223836) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(3S)-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-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide