EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223815 - [(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] ormate

ChEBI IDCHEBI:223815
ChEBI Name[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] ormate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36N4O9
Net Charge0
Average Mass512.560
Monoisotopic Mass512.24823
SMILESC/C(=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCOC=O)NC1=O)CCO
InChIInChI=1S/C23H36N4O9/c1-16(7-11-28)13-20(30)26(34)9-3-5-18-22(32)25-19(23(33)24-18)6-4-10-27(35)21(31)14-17(2)8-12-36-15-29/h13-15,18-19,28,34-35H,3-12H2,1-2H3,(H,24,33)(H,25,32)/b16-13+,17-14+/t18-,19-/m0/s1
InChIKeyINOVHRMNMNODNU-WWBRZNGQSA-N
Species of MetaboliteComponentSourceComments
Beauveria bassiana (ncbitaxon:176275) - PubMed (32058711)
ChEBI Ontology
Outgoing Relation(s)
[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] ormate (CHEBI:223815) has functional parent α-amino acid (CHEBI:33704)
[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] ormate (CHEBI:223815) is a organonitrogen compound (CHEBI:35352)
[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] ormate (CHEBI:223815) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] ormate