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CHEBI:226338 - Trichocyclodipeptide B

ChEBI IDCHEBI:226338
ChEBI NameTrichocyclodipeptide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38N4O7
Net Charge0
Average Mass494.589
Monoisotopic Mass494.27405
SMILESCC(=O)OCCC(C)=CC(=O)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)C=C(C)CCO)NC1=O
InChIInChI=1S/C24H38N4O7/c1-16(8-12-29)14-21(31)25-10-4-6-19-23(33)28-20(24(34)27-19)7-5-11-26-22(32)15-17(2)9-13-35-18(3)30/h14-15,19-20,29H,4-13H2,1-3H3,(H,25,31)(H,26,32)(H,27,34)(H,28,33)/t19-,20-/m0/s1
InChIKeyRZPDQEPMHAHTJR-PMACEKPBSA-N
Species of MetaboliteComponentSourceComments
Stagonospora trichophoricola (ncbitaxon:1508255) - PubMed (28676717)
ChEBI Ontology
Outgoing Relation(s)
Trichocyclodipeptide B (CHEBI:226338) is a carboximidic acid (CHEBI:48378)
IUPAC Name 
[5-[3-[(2S,5S)-5-[3-[(5-hydroxy-3-methylpent-2-enoyl)amino]propyl]-3,6-dioxopiperazin-2-yl]propylamino]-3-methyl-5-oxopent-3-enyl] acetate