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CHEBI:219339 - Xeneprotide B

ChEBI IDCHEBI:219339
ChEBI NameXeneprotide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H42N6O6
Net Charge0
Average Mass654.768
Monoisotopic Mass654.31658
SMILESCC(C)CC(=O)N[C@@H]1C(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)N[C@H](Cc2cnc3ccccc23)C(=O)N2CCC[C@H]2C(=O)O[C@@H]1C
InChIInChI=1S/C36H42N6O6/c1-20(2)15-31(43)41-32-21(3)48-36(47)30-13-8-14-42(30)35(46)29(17-23-19-38-27-12-7-5-10-25(23)27)40-33(44)28(39-34(32)45)16-22-18-37-26-11-6-4-9-24(22)26/h4-7,9-12,18-21,28-30,32,37-38H,8,13-17H2,1-3H3,(H,39,45)(H,40,44)(H,41,43)/t21-,28+,29-,30+,32+/m1/s1
InChIKeyRMTZROAVRDMCLE-CPIGVHLOSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdusspecies (ncbitaxon:51785) - PubMed (28993611)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xeneprotide B (CHEBI:219339) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6S,9S,10R,13S)-3,6-bis(1H-indol-3-ylmethyl)-10-methyl-2,5,8,12-tetraoxo-11-oxa-1,4,7-triazabicyclo[11.3.0]hexadecan-9-yl]-3-methylbutanamide