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CHEBI:221561 - Trapoxin B

ChEBI IDCHEBI:221561
ChEBI NameTrapoxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40N4O6
Net Charge0
Average Mass588.705
Monoisotopic Mass588.29478
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCCC(=O)[C@@H]2CO2)C(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1
InChIKeyLLOKIGWPNVSDGJ-AFBVCZJXSA-N
Species of MetaboliteComponentSourceComments
Helicoma (ncbitaxon:314148) - PubMed (2276972)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trapoxin B (CHEBI:221561) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12R)-3,6-dibenzyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Manual XrefsDatabases
350862ChemSpider