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CHEBI:219335 - Xeneprotide A

ChEBI IDCHEBI:219335
ChEBI NameXeneprotide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H40N6O6
Net Charge0
Average Mass688.785
Monoisotopic Mass688.30093
SMILESC[C@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H]1NC(=O)Cc1ccccc1
InChIInChI=1S/C39H40N6O6/c1-23-35(44-34(46)18-24-10-3-2-4-11-24)37(48)42-31(19-25-21-40-29-14-7-5-12-27(25)29)36(47)43-32(20-26-22-41-30-15-8-6-13-28(26)30)38(49)45-17-9-16-33(45)39(50)51-23/h2-8,10-15,21-23,31-33,35,40-41H,9,16-20H2,1H3,(H,42,48)(H,43,47)(H,44,46)/t23-,31+,32-,33+,35+/m1/s1
InChIKeyLXPNBOVHJXILAR-MLVOZCEISA-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 A (CHEBI:219335) 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]-2-phenylacetamide