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CHEBI:214004 - Xenematide

ChEBI IDCHEBI:214004
ChEBI NameXenematide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38N6O6
Net Charge0
Average Mass662.747
Monoisotopic Mass662.28528
SMILESC[C@H]1OC(=O)CCNC(=O)C(Cc2cnc3ccccc23)NC(=O)C(Cc2cnc3ccccc23)NC(=O)[C@H]1NC(=O)Cc1ccccc1
InChIInChI=1S/C37H38N6O6/c1-22-34(43-32(44)17-23-9-3-2-4-10-23)37(48)42-31(19-25-21-40-29-14-8-6-12-27(25)29)36(47)41-30(35(46)38-16-15-33(45)49-22)18-24-20-39-28-13-7-5-11-26(24)28/h2-14,20-22,30-31,34,39-40H,15-19H2,1H3,(H,38,46)(H,41,47)(H,42,48)(H,43,44)/t22-,30?,31?,34+/m1/s1
InChIKeyOHLKJNUNPSYJEE-RWBJUYEISA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (18491867)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xenematide (CHEBI:214004) is a peptide (CHEBI:16670)
IUPAC Name 
N-[(2R,3S)-6,9-bis(1H-indol-3-ylmethyl)-2-methyl-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]-2-phenylacetamide
Manual XrefsDatabases
78440487ChemSpider